1-(4-chlorophenyl)-3-methyl-4-(4-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(4-chlorophenyl)-3-methyl-4-(4-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(4-chlorophenyl)-3-methyl-4-(4-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0240 |
| Compound Name: | 1-(4-chlorophenyl)-3-methyl-4-(4-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: | Cc1ccc(cc1)C1c2c(C)nn(c3ccc(cc3)[Cl])c2NC(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.619 |
| logD: | 4.6189 |
| logSw: | -4.976 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.422 |
| InChI Key: | XYTBLYHWXBRONX-LJQANCHMSA-N |