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-[(furan-2-yl)methyl]acetamide
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-[(furan-2-yl)methyl]acetamide
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-[(furan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V005-0165 |
| 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-[(furan-2-yl)methyl]acetamide |
| Molecular Weight: | 569.08 |
| Molecular Formula: | C31 H25 Cl N4 O3 S |
| Smiles: | C(c1ccco1)NC(CN1C(CSC(c2ccccc2[Cl])c2c(c3ccccc3)nn(c3ccccc3)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3025 |
| logD: | 6.3025 |
| logSw: | -6.1146 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.245 |
| InChI Key: | OEZVXGHPAFZUTA-SSEXGKCCSA-N |