4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | 8019-6636 |
| Compound Name: | 4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C23 H22 N4 O5 S2 |
| Smiles: | Cc1c2C(c3cc(c(c(c3)OC)O)OC)SCC(Nc2n(c2nc3ccc(cc3s2)OC)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6119 |
| logD: | 3.4475 |
| logSw: | -3.9414 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.241 |
| InChI Key: | VEHDJAPJPKLKCD-OAQYLSRUSA-N |