2-[4-(3-chlorophenyl)-1-(2-methylphenyl)-7-oxo-3-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
Chemical Structure Depiction of
2-[4-(3-chlorophenyl)-1-(2-methylphenyl)-7-oxo-3-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
2-[4-(3-chlorophenyl)-1-(2-methylphenyl)-7-oxo-3-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
Compound characteristics
| Compound ID: | V018-0887 |
| Compound Name: | 2-[4-(3-chlorophenyl)-1-(2-methylphenyl)-7-oxo-3-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide |
| Molecular Weight: | 567.13 |
| Molecular Formula: | C28 H27 Cl N4 O3 S2 |
| Smiles: | Cc1ccccc1n1c2c(C(c3cccc(c3)[Cl])SCC(N2CC(NCCOC)=O)=O)c(c2cccs2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5149 |
| logD: | 5.5149 |
| logSw: | -5.7911 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.669 |
| InChI Key: | FERSHLHIWVZQRK-HHHXNRCGSA-N |