N-(4-{[4-(3,4-dimethylanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-phenylpropanamide
Chemical Structure Depiction of
N-(4-{[4-(3,4-dimethylanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-phenylpropanamide
N-(4-{[4-(3,4-dimethylanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-phenylpropanamide
Compound characteristics
| Compound ID: | V026-9222 |
| Compound Name: | N-(4-{[4-(3,4-dimethylanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-phenylpropanamide |
| Molecular Weight: | 543.69 |
| Molecular Formula: | C31 H33 N3 O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1C)NC1=C(C(N(CCCOC)C1=O)=O)Sc1ccc(cc1)NC(CCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6722 |
| logD: | 5.6712 |
| logSw: | -5.2405 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.073 |
| InChI Key: | QTEAPFRTLFJLHD-UHFFFAOYSA-N |