4-bromo-N-(3-{[1-(4-fluorophenyl)-4-(2-methoxy-5-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
Chemical Structure Depiction of
4-bromo-N-(3-{[1-(4-fluorophenyl)-4-(2-methoxy-5-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
4-bromo-N-(3-{[1-(4-fluorophenyl)-4-(2-methoxy-5-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
Compound characteristics
| Compound ID: | V025-8184 |
| Compound Name: | 4-bromo-N-(3-{[1-(4-fluorophenyl)-4-(2-methoxy-5-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide |
| Molecular Weight: | 632.51 |
| Molecular Formula: | C31 H23 Br F N3 O4 S |
| Smiles: | Cc1ccc(c(c1)NC1=C(C(N(C1=O)c1ccc(cc1)F)=O)Sc1cccc(c1)NC(c1ccc(cc1)[Br])=O)OC |
| Stereo: | ACHIRAL |
| logP: | 6.1621 |
| logD: | 6.1613 |
| logSw: | -5.5431 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.015 |
| InChI Key: | DDIXAEKGELRGDX-UHFFFAOYSA-N |