3-methyl-1,4-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
3-methyl-1,4-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-methyl-1,4-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | 8012-6639 |
| Compound Name: | 3-methyl-1,4-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 335.43 |
| Molecular Formula: | C19 H17 N3 O S |
| Smiles: | Cc1c2C(c3ccccc3)SCC(Nc2n(c2ccccc2)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4836 |
| logD: | 3.4836 |
| logSw: | -3.7327 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.422 |
| InChI Key: | SWWKOIKXMPKBGN-GOSISDBHSA-N |