3-methyl-4-(3-nitrophenyl)-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
3-methyl-4-(3-nitrophenyl)-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-methyl-4-(3-nitrophenyl)-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | 5897-0198 |
| Compound Name: | 3-methyl-4-(3-nitrophenyl)-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 380.42 |
| Molecular Formula: | C19 H16 N4 O3 S |
| Smiles: | Cc1c2C(c3cccc(c3)[N+]([O-])=O)SCC(Nc2n(c2ccccc2)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3395 |
| logD: | 3.3395 |
| logSw: | -3.68 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.804 |
| InChI Key: | OWMJIFZLWAKKIZ-GOSISDBHSA-N |