4-(3-nitrophenyl)-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(3-nitrophenyl)-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(3-nitrophenyl)-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | 4643-0174 |
| Compound Name: | 4-(3-nitrophenyl)-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 442.5 |
| Molecular Formula: | C24 H18 N4 O3 S |
| Smiles: | C1C(Nc2c(C(c3cccc(c3)[N+]([O-])=O)S1)c(c1ccccc1)nn2c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.786 |
| logD: | 4.786 |
| logSw: | -4.8704 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.726 |
| InChI Key: | MSXZQZLUYAYBGA-HSZRJFAPSA-N |