2-[3-(4-chlorophenyl)-4-(2-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-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: | V025-8254 |
| Compound Name: | 2-[3-(4-chlorophenyl)-4-(2-methoxyphenyl)-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: | 591.13 |
| Molecular Formula: | C31 H31 Cl N4 O4 S |
| Smiles: | Cc1ccc(cc1)n1c2c(C(c3ccccc3OC)SCC(N2CC(NCCOC)=O)=O)c(c2ccc(cc2)[Cl])n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6848 |
| logD: | 5.6848 |
| logSw: | -5.9678 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.582 |
| InChI Key: | RGXJMPMHKFYVJP-SSEXGKCCSA-N |