N-(3-{[4-(4-methylanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-phenylpropanamide
Chemical Structure Depiction of
N-(3-{[4-(4-methylanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-phenylpropanamide
N-(3-{[4-(4-methylanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-phenylpropanamide
Compound characteristics
| Compound ID: | V006-4629 |
| Compound Name: | N-(3-{[4-(4-methylanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-phenylpropanamide |
| Molecular Weight: | 513.66 |
| Molecular Formula: | C30 H31 N3 O3 S |
| Smiles: | CC(C)CN1C(C(=C(C1=O)Sc1cccc(c1)NC(CCc1ccccc1)=O)Nc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.046 |
| logD: | 6.0447 |
| logSw: | -5.3875 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.752 |
| InChI Key: | BRKVOODGRDUUEL-UHFFFAOYSA-N |