2-[1-(2-chlorophenyl)-4-(3-chlorophenyl)-7-oxo-3-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-[1-(2-chlorophenyl)-4-(3-chlorophenyl)-7-oxo-3-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[1-(2-chlorophenyl)-4-(3-chlorophenyl)-7-oxo-3-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | V005-9304 |
| Compound Name: | 2-[1-(2-chlorophenyl)-4-(3-chlorophenyl)-7-oxo-3-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide |
| Molecular Weight: | 637.58 |
| Molecular Formula: | C31 H23 Cl2 F N4 O2 S2 |
| Smiles: | C(c1ccc(cc1)F)NC(CN1C(CSC(c2cccc(c2)[Cl])c2c(c3cccs3)nn(c3ccccc3[Cl])c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.2416 |
| logD: | 7.2416 |
| logSw: | -6.5345 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.214 |
| InChI Key: | ZQVOBMIKRFPLEM-SSEXGKCCSA-N |