4-(4-hydroxyphenyl)-3-methyl-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(4-hydroxyphenyl)-3-methyl-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(4-hydroxyphenyl)-3-methyl-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0355 |
| Compound Name: | 4-(4-hydroxyphenyl)-3-methyl-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 351.43 |
| Molecular Formula: | C19 H17 N3 O2 S |
| Smiles: | Cc1c2C(c3ccc(cc3)O)SCC(Nc2n(c2ccccc2)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8596 |
| logD: | 2.8578 |
| logSw: | -3.2417 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.039 |
| InChI Key: | QRSJVWZVHDQLFS-GOSISDBHSA-N |