2-[4-(2-chlorophenyl)-7-oxo-1,3-diphenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide
Chemical Structure Depiction of
2-[4-(2-chlorophenyl)-7-oxo-1,3-diphenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide
2-[4-(2-chlorophenyl)-7-oxo-1,3-diphenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide
Compound characteristics
| Compound ID: | V015-2761 |
| Compound Name: | 2-[4-(2-chlorophenyl)-7-oxo-1,3-diphenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide |
| Molecular Weight: | 529.06 |
| Molecular Formula: | C29 H25 Cl N4 O2 S |
| Smiles: | C1CC1NC(CN1C(CSC(c2ccccc2[Cl])c2c(c3ccccc3)nn(c3ccccc3)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4445 |
| logD: | 5.4445 |
| logSw: | -5.9156 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.553 |
| InChI Key: | YYSZCCJSCAYQRW-MUUNZHRXSA-N |