2-[3-tert-butyl-4-(3-chlorophenyl)-1-(2-methylphenyl)-7-oxo-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-[3-tert-butyl-4-(3-chlorophenyl)-1-(2-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide
2-[3-tert-butyl-4-(3-chlorophenyl)-1-(2-methylphenyl)-7-oxo-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: | V020-3114 |
| Compound Name: | 2-[3-tert-butyl-4-(3-chlorophenyl)-1-(2-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide |
| Molecular Weight: | 574.14 |
| Molecular Formula: | C31 H32 Cl N5 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c2c(C(c3cccc(c3)[Cl])SCC(N2CC(NCc2ccncc2)=O)=O)c(C(C)(C)C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7624 |
| logD: | 5.759 |
| logSw: | -5.8672 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.895 |
| InChI Key: | YDRWWWNEVWUPPI-MUUNZHRXSA-N |