3-hydroxy-4-(4-methylphenyl)-1-(propan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
3-hydroxy-4-(4-methylphenyl)-1-(propan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-hydroxy-4-(4-methylphenyl)-1-(propan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D068-0057 |
| Compound Name: | 3-hydroxy-4-(4-methylphenyl)-1-(propan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 317.41 |
| Molecular Formula: | C16 H19 N3 O2 S |
| Smiles: | CC(C)n1c2c(C(c3ccc(C)cc3)SCC(N2)=O)c(n1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7651 |
| logD: | 2.1228 |
| logSw: | -3.0118 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.409 |
| InChI Key: | AXQPLMMFXJDNTC-CQSZACIVSA-N |