2-chloro-N-(4-{[4-(4-methylanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
Chemical Structure Depiction of
2-chloro-N-(4-{[4-(4-methylanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
2-chloro-N-(4-{[4-(4-methylanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
Compound characteristics
| Compound ID: | V026-5440 |
| Compound Name: | 2-chloro-N-(4-{[4-(4-methylanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide |
| Molecular Weight: | 520.05 |
| Molecular Formula: | C28 H26 Cl N3 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)CN1C(C(=C(C1=O)Sc1ccc(cc1)NC(c1ccccc1[Cl])=O)Nc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2343 |
| logD: | 6.2328 |
| logSw: | -5.8939 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.965 |
| InChI Key: | ZINOZPNKGUTLOK-UHFFFAOYSA-N |