N-(3-{[4-(4-bromoanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-(3-{[4-(4-bromoanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)thiophene-2-carboxamide
N-(3-{[4-(4-bromoanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)thiophene-2-carboxamide
Compound characteristics
Compound ID: | V027-9204 |
Compound Name: | N-(3-{[4-(4-bromoanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)thiophene-2-carboxamide |
Molecular Weight: | 572.5 |
Molecular Formula: | C25 H22 Br N3 O4 S2 |
Salt: | not_available |
Smiles: | COCCCN1C(C(=C(C1=O)Sc1cccc(c1)NC(c1cccs1)=O)Nc1ccc(cc1)[Br])=O |
Stereo: | ACHIRAL |
logP: | 4.946 |
logD: | 4.8904 |
logSw: | -4.5463 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 71.305 |
InChI Key: | WKBLDIKEEAQAOL-UHFFFAOYSA-N |