2-[1-(2-chlorophenyl)-4-(3-chlorophenyl)-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-[1-(2-chlorophenyl)-4-(3-chlorophenyl)-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-[1-(2-chlorophenyl)-4-(3-chlorophenyl)-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: | V018-0883 |
| Compound Name: | 2-[1-(2-chlorophenyl)-4-(3-chlorophenyl)-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: | 585.57 |
| Molecular Formula: | C28 H26 Cl2 N4 O2 S2 |
| Smiles: | CC(C)CNC(CN1C(CSC(c2cccc(c2)[Cl])c2c(c3cccs3)nn(c3ccccc3[Cl])c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7027 |
| logD: | 6.7027 |
| logSw: | -6.2673 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.485 |
| InChI Key: | BHYOCDUWEBESBH-HHHXNRCGSA-N |