N-(butan-2-yl)-2-[3-(4-chlorophenyl)-4-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
Chemical Structure Depiction of
N-(butan-2-yl)-2-[3-(4-chlorophenyl)-4-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
N-(butan-2-yl)-2-[3-(4-chlorophenyl)-4-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
Compound characteristics
| Compound ID: | V027-4398 |
| Compound Name: | N-(butan-2-yl)-2-[3-(4-chlorophenyl)-4-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide |
| Molecular Weight: | 619.18 |
| Molecular Formula: | C33 H35 Cl N4 O4 S |
| Salt: | not_available |
| Smiles: | CCC(C)NC(CN1C(CSC(c2cc(ccc2OC)OC)c2c(c3ccc(cc3)[Cl])nn(c3ccc(C)cc3)c12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.8724 |
| logD: | 6.8724 |
| logSw: | -6.3497 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.383 |
| InChI Key: | KNJSFEGUFFHJLI-UHFFFAOYSA-N |