N-(4-{[4-(2,4-dimethoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-phenylpropanamide
Chemical Structure Depiction of
N-(4-{[4-(2,4-dimethoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-phenylpropanamide
N-(4-{[4-(2,4-dimethoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-phenylpropanamide
Compound characteristics
| Compound ID: | V026-6725 |
| Compound Name: | N-(4-{[4-(2,4-dimethoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-phenylpropanamide |
| Molecular Weight: | 575.68 |
| Molecular Formula: | C31 H33 N3 O6 S |
| Salt: | not_available |
| Smiles: | COCCCN1C(C(=C(C1=O)Sc1ccc(cc1)NC(CCc1ccccc1)=O)Nc1ccc(cc1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7534 |
| logD: | 4.7002 |
| logSw: | -4.4768 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.549 |
| InChI Key: | WJHSHAZMNFEIIG-UHFFFAOYSA-N |