3-hydroxy-4-(3-nitrophenyl)-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-(3-nitrophenyl)-1-(propan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-hydroxy-4-(3-nitrophenyl)-1-(propan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | 5545-0058 |
| Compound Name: | 3-hydroxy-4-(3-nitrophenyl)-1-(propan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 348.38 |
| Molecular Formula: | C15 H16 N4 O4 S |
| Smiles: | CC(C)n1c2c(C(c3cccc(c3)[N+]([O-])=O)SCC(N2)=O)c(n1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2019 |
| logD: | 1.5596 |
| logSw: | -2.7766 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.791 |
| InChI Key: | ARYVKDDMYXSLLM-CYBMUJFWSA-N |