N-(4-{[4-(4-bromoanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2-chlorobenzamide
Chemical Structure Depiction of
N-(4-{[4-(4-bromoanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2-chlorobenzamide
N-(4-{[4-(4-bromoanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2-chlorobenzamide
Compound characteristics
| Compound ID: | V028-6651 |
| Compound Name: | N-(4-{[4-(4-bromoanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2-chlorobenzamide |
| Molecular Weight: | 584.92 |
| Molecular Formula: | C27 H23 Br Cl N3 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)CN1C(C(=C(C1=O)Sc1ccc(cc1)NC(c1ccccc1[Cl])=O)Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 6.6448 |
| logD: | 6.5892 |
| logSw: | -6.0258 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.965 |
| InChI Key: | XXKBEQVYHSZUOX-UHFFFAOYSA-N |