N-(3-{[4-(4-bromoanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-phenylpropanamide
Chemical Structure Depiction of
N-(3-{[4-(4-bromoanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-phenylpropanamide
N-(3-{[4-(4-bromoanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-phenylpropanamide
Compound characteristics
| Compound ID: | V027-9192 |
| Compound Name: | N-(3-{[4-(4-bromoanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-phenylpropanamide |
| Molecular Weight: | 594.53 |
| Molecular Formula: | C29 H28 Br N3 O4 S |
| Salt: | not_available |
| Smiles: | COCCCN1C(C(=C(C1=O)Sc1cccc(c1)NC(CCc1ccccc1)=O)Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4095 |
| logD: | 5.3539 |
| logSw: | -5.2017 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.073 |
| InChI Key: | XUZSXSHAALAJQJ-UHFFFAOYSA-N |