1-(1,3-benzothiazol-2-yl)-4-{4-[(2-chlorophenyl)methoxy]phenyl}-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(1,3-benzothiazol-2-yl)-4-{4-[(2-chlorophenyl)methoxy]phenyl}-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(1,3-benzothiazol-2-yl)-4-{4-[(2-chlorophenyl)methoxy]phenyl}-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | 8019-6690 |
| Compound Name: | 1-(1,3-benzothiazol-2-yl)-4-{4-[(2-chlorophenyl)methoxy]phenyl}-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 533.07 |
| Molecular Formula: | C27 H21 Cl N4 O2 S2 |
| Smiles: | Cc1c2C(c3ccc(cc3)OCc3ccccc3[Cl])SCC(Nc2n(c2nc3ccccc3s2)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4659 |
| logD: | 6.4619 |
| logSw: | -6.2004 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.185 |
| InChI Key: | QTEFCBWSSOGLDI-RUZDIDTESA-N |