2-[4-(2-chlorophenyl)-1-(4-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide
Chemical Structure Depiction of
2-[4-(2-chlorophenyl)-1-(4-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide
2-[4-(2-chlorophenyl)-1-(4-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V027-8591 |
| Compound Name: | 2-[4-(2-chlorophenyl)-1-(4-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide |
| Molecular Weight: | 594.14 |
| Molecular Formula: | C33 H28 Cl N5 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c2c(C(c3ccccc3[Cl])SCC(N2CC(NCc2ccncc2)=O)=O)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7403 |
| logD: | 5.7369 |
| logSw: | -5.8436 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.924 |
| InChI Key: | XMDQUJZOVNKOIJ-JGCGQSQUSA-N |