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
N-[3-({4-(4-methoxyanilino)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide
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: | V025-1525 |
| Compound Name: | N-[3-({4-(4-methoxyanilino)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide |
| Molecular Weight: | 589.59 |
| Molecular Formula: | C31 H22 F3 N3 O4 S |
| Smiles: | COc1ccc(cc1)NC1=C(C(N(C1=O)c1ccc(cc1)C(F)(F)F)=O)Sc1cccc(c1)NC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8889 |
| logD: | 5.8888 |
| logSw: | -5.6675 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.626 |
| InChI Key: | VHCPOTTWKUOZNN-UHFFFAOYSA-N |