N-(3-{[4-(4-bromoanilino)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-chlorobenzamide
Chemical Structure Depiction of
N-(3-{[4-(4-bromoanilino)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-chlorobenzamide
N-(3-{[4-(4-bromoanilino)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-chlorobenzamide
Compound characteristics
| Compound ID: | V025-8183 |
| Compound Name: | N-(3-{[4-(4-bromoanilino)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-chlorobenzamide |
| Molecular Weight: | 634.94 |
| Molecular Formula: | C30 H21 Br Cl N3 O4 S |
| Smiles: | COc1ccc(cc1)N1C(C(=C(C1=O)Sc1cccc(c1)NC(c1ccc(cc1)[Cl])=O)Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 6.5498 |
| logD: | 6.549 |
| logSw: | -6.4762 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.626 |
| InChI Key: | ASZRMMRNIZZDGR-UHFFFAOYSA-N |