2-[3-(4-chlorophenyl)-4-(2-methylphenyl)-1-(4-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide
Chemical Structure Depiction of
2-[3-(4-chlorophenyl)-4-(2-methylphenyl)-1-(4-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide
2-[3-(4-chlorophenyl)-4-(2-methylphenyl)-1-(4-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide
Compound characteristics
| Compound ID: | V025-8242 |
| Compound Name: | 2-[3-(4-chlorophenyl)-4-(2-methylphenyl)-1-(4-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide |
| Molecular Weight: | 557.11 |
| Molecular Formula: | C31 H29 Cl N4 O2 S |
| Smiles: | Cc1ccc(cc1)n1c2c(C(c3ccccc3C)SCC(N2CC(NC2CC2)=O)=O)c(c2ccc(cc2)[Cl])n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5429 |
| logD: | 6.5429 |
| logSw: | -6.2627 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.553 |
| InChI Key: | KBDCGZQBVCXBCW-SSEXGKCCSA-N |