4-(2,5-difluorophenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(2,5-difluorophenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(2,5-difluorophenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D361-2606 |
| Compound Name: | 4-(2,5-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(ccc3F)F)SCC(Nc2[nH]n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2947 |
| logD: | 2.2945 |
| logSw: | -2.9435 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.033 |
| InChI Key: | XKTUZEFRWDNGIY-GFCCVEGCSA-N |