2-[3-tert-butyl-1-(2-chlorophenyl)-4-(2-methoxyphenyl)-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-tert-butyl-1-(2-chlorophenyl)-4-(2-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
2-[3-tert-butyl-1-(2-chlorophenyl)-4-(2-methoxyphenyl)-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: | V004-6149 |
| Compound Name: | 2-[3-tert-butyl-1-(2-chlorophenyl)-4-(2-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide |
| Molecular Weight: | 557.11 |
| Molecular Formula: | C28 H33 Cl N4 O4 S |
| Smiles: | CC(C)(C)c1c2C(c3ccccc3OC)SCC(N(CC(NCCOC)=O)c2n(c2ccccc2[Cl])n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9705 |
| logD: | 4.9705 |
| logSw: | -4.9254 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.553 |
| InChI Key: | UJKUZOBPLYMCDG-RUZDIDTESA-N |