2-[4-(3-chlorophenyl)-1-(2-methylphenyl)-7-oxo-3-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
Chemical Structure Depiction of
2-[4-(3-chlorophenyl)-1-(2-methylphenyl)-7-oxo-3-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
2-[4-(3-chlorophenyl)-1-(2-methylphenyl)-7-oxo-3-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
Compound characteristics
| Compound ID: | V018-0875 |
| Compound Name: | 2-[4-(3-chlorophenyl)-1-(2-methylphenyl)-7-oxo-3-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide |
| Molecular Weight: | 565.16 |
| Molecular Formula: | C29 H29 Cl N4 O2 S2 |
| Smiles: | CC(C)CNC(CN1C(CSC(c2cccc(c2)[Cl])c2c(c3cccs3)nn(c3ccccc3C)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.671 |
| logD: | 6.671 |
| logSw: | -6.1087 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.485 |
| InChI Key: | FGNMZHBIKHJQOX-MUUNZHRXSA-N |