1-(3-chlorophenyl)-4-(4-fluorophenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(3-chlorophenyl)-4-(4-fluorophenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(3-chlorophenyl)-4-(4-fluorophenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D361-1499 |
| Compound Name: | 1-(3-chlorophenyl)-4-(4-fluorophenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 387.86 |
| Molecular Formula: | C19 H15 Cl F N3 O S |
| Smiles: | Cc1c2C(c3ccc(cc3)F)SCC(Nc2n(c2cccc(c2)[Cl])n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2644 |
| logD: | 4.2639 |
| logSw: | -4.7151 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.422 |
| InChI Key: | YVUWHWUZESVQEM-GOSISDBHSA-N |