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]-N-(2-methoxyethyl)acetamide
Chemical Structure Depiction of
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]-N-(2-methoxyethyl)acetamide
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]-N-(2-methoxyethyl)acetamide
Compound characteristics
| Compound ID: | V027-4457 |
| Compound Name: | 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]-N-(2-methoxyethyl)acetamide |
| Molecular Weight: | 621.16 |
| Molecular Formula: | C32 H33 Cl N4 O5 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c2c(C(c3cc(ccc3OC)OC)SCC(N2CC(NCCOC)=O)=O)c(c2ccc(cc2)[Cl])n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7338 |
| logD: | 5.7338 |
| logSw: | -5.9974 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.126 |
| InChI Key: | YZTYXVSWPFUXPS-WJOKGBTCSA-N |