4-(3,5-difluorophenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(3,5-difluorophenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(3,5-difluorophenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D361-2603 |
| Compound Name: | 4-(3,5-difluorophenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 295.31 |
| Molecular Formula: | C13 H11 F2 N3 O S |
| Smiles: | Cc1c2C(c3cc(cc(c3)F)F)SCC(Nc2[nH]n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1846 |
| logD: | 2.1843 |
| logSw: | -2.6755 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.033 |
| InChI Key: | UNDPBXDJWNZWLI-GFCCVEGCSA-N |