Benzothiazole-polyethylene-glycol-polymer | SBID = 261 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | |||
| Number of H-Bond Donors: | |||
| Number of H-Bond Acceptors: | |||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C104H190N2SO46 | ||
| M / g/mol: | 2236.69 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: aromatic, typical guest
- Name: Benzothiazole-polyethylene-glycol-polymer
- Preferred Abbreviation: Benzothiazole-polyethylene-glycol-polymer
- IUPAC Name:
- CAS:
- CID: -38
- InChiKey: PJPCCZRWDKRYOI-UHFFFAOYSA-N
- InChi: InChI=1S/C104H190N2O46S/c1-98-3-8-101-102(97-98)153-103(106-101)99-4-6-100(7-5-99)105-104(107)152-96-95-151-94-93-150-92-91-149-90-89-148-88-87-147-86-85-146-84-83-145-82-81-144-80-79-143-78-77-142-76-75-141-74-73-140-72-71-139-70-69-138-68-67-137-66-65-136-64-63-135-62-61-134-60-59-133-58-57-132-56-55-131-54-53-130-52-51-129-50-49-128-48-47-127-46-45-126-44-43-125-42-41-124-40-39-123-38-37-122-36-35-121-34-33-120-32-31-119-30-29-118-28-27-117-26-25-116-24-23-115-22-21-114-20-19-113-18-17-112-16-15-111-14-13-110-12-11-109-10-9-108-2/h3-8,97H,9-96H2,1-2H3,(H,105,107)
- CanoSmiles: O=C(NC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)C)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC
- IsoSmiles: O=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)NC1=CC=C(C2=NC3=C(C=C(C)C=C3)S2)C=C1
