2-[1-(2-chlorophenyl)-4-(3-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(propan-2-yl)acetamide
Chemical Structure Depiction of
2-[1-(2-chlorophenyl)-4-(3-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(propan-2-yl)acetamide
2-[1-(2-chlorophenyl)-4-(3-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(propan-2-yl)acetamide
Compound characteristics
| Compound ID: | V008-5180 |
| Compound Name: | 2-[1-(2-chlorophenyl)-4-(3-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(propan-2-yl)acetamide |
| Molecular Weight: | 545.1 |
| Molecular Formula: | C30 H29 Cl N4 O2 S |
| Smiles: | CC(C)NC(CN1C(CSC(c2cccc(C)c2)c2c(c3ccccc3)nn(c3ccccc3[Cl])c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1784 |
| logD: | 6.1784 |
| logSw: | -6.028 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.441 |
| InChI Key: | LUWRUGJCWFDWEY-GDLZYMKVSA-N |