2-[4-(3-methylphenyl)-1-(4-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-phenylacetamide
Chemical Structure Depiction of
2-[4-(3-methylphenyl)-1-(4-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-phenylacetamide
2-[4-(3-methylphenyl)-1-(4-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-phenylacetamide
Compound characteristics
| Compound ID: | V004-4942 |
| Compound Name: | 2-[4-(3-methylphenyl)-1-(4-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-phenylacetamide |
| Molecular Weight: | 558.7 |
| Molecular Formula: | C34 H30 N4 O2 S |
| Smiles: | Cc1ccc(cc1)n1c2c(C(c3cccc(C)c3)SCC(N2CC(Nc2ccccc2)=O)=O)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.3309 |
| logD: | 7.3309 |
| logSw: | -5.6016 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.174 |
| InChI Key: | HQDZLXYTCUPLSQ-MGBGTMOVSA-N |