2-chloro-N-[3-({4-(4-methoxyanilino)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide
Chemical Structure Depiction of
2-chloro-N-[3-({4-(4-methoxyanilino)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide
2-chloro-N-[3-({4-(4-methoxyanilino)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide
Compound characteristics
| Compound ID: | V025-1584 |
| Compound Name: | 2-chloro-N-[3-({4-(4-methoxyanilino)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide |
| Molecular Weight: | 624.04 |
| Molecular Formula: | C31 H21 Cl F3 N3 O4 S |
| Smiles: | COc1ccc(cc1)NC1=C(C(N(C1=O)c1ccc(cc1)C(F)(F)F)=O)Sc1cccc(c1)NC(c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.4491 |
| logD: | 6.4482 |
| logSw: | -6.0997 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.626 |
| InChI Key: | USNZJPAGTNETHF-UHFFFAOYSA-N |