4-(3-chlorophenyl)-3-methyl-1-(2-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(3-chlorophenyl)-3-methyl-1-(2-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(3-chlorophenyl)-3-methyl-1-(2-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D361-2491 |
| Compound Name: | 4-(3-chlorophenyl)-3-methyl-1-(2-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 383.9 |
| Molecular Formula: | C20 H18 Cl N3 O S |
| Smiles: | Cc1ccccc1n1c2c(C(c3cccc(c3)[Cl])SCC(N2)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7216 |
| logD: | 4.7214 |
| logSw: | -4.7973 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.121 |
| InChI Key: | HMNAQAWHPRDIHU-LJQANCHMSA-N |