4-((4-(benzo[d]thiazol-2-yl)piperazin-1-yl)methyl)-7-methoxy-2H-chromen-2-one | SBID = 224 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| 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: | C22H21N3O3S | ||
| M / g/mol: | 407.49 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: typical guest
- Name: 4-((4-(benzo[d]thiazol-2-yl)piperazin-1-yl)methyl)-7-methoxy-2H-chromen-2-one
- Preferred Abbreviation: 4-((4-(benzo[d]thiazol-2-yl)piperazin-1-yl)methyl)-7-methoxy-2H-chromen-2-one
- IUPAC Name: 4-((4-(benzo[d]thiazol-2-yl)piperazin-1-yl)methyl)-7-methoxy-2H-chromen-2-one
- CAS:
- CID: -14
- InChiKey: RTTKZMVBIVCKQM-UHFFFAOYSA-N
- InChi: InChI=1S/C22H21N3O3S/c1-27-16-6-7-17-15(12-21(26)28-19(17)13-16)14-24-8-10-25(11-9-24)22-23-18-4-2-3-5-20(18)29-22/h2-7,12-13H,8-11,14H2,1H3
- CanoSmiles: COC1=CC=C2C(OC(C=C2CN3CCN(C4=NC(C=CC=C5)=C5S4)CC3)=O)=C1
- IsoSmiles: O=C1C=C(CN2CCN(C3=NC4=CC=CC=C4S3)CC2)C5=C(O1)C=C(OC)C=C5
