2-[4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-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-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide
2-[4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-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: | V008-1132 |
| Compound Name: | 2-[4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide |
| Molecular Weight: | 597.14 |
| Molecular Formula: | C33 H29 Cl N4 O3 S |
| Smiles: | Cc1cccc(c1C)n1c2c(C(c3cccc(c3)[Cl])SCC(N2CC(NCc2ccco2)=O)=O)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.3872 |
| logD: | 7.3872 |
| logSw: | -6.2264 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.944 |
| InChI Key: | QSCYAWNLLLZGSV-JGCGQSQUSA-N |