N-(4-{[4-(4-bromoanilino)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(4-{[4-(4-bromoanilino)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
N-(4-{[4-(4-bromoanilino)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
Compound ID: | V030-1544 |
Compound Name: | N-(4-{[4-(4-bromoanilino)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide |
Molecular Weight: | 580.46 |
Molecular Formula: | C27 H22 Br N3 O5 S |
Salt: | not_available |
Smiles: | CC(C)N1C(C(=C(C1=O)Sc1ccc(cc1)NC(c1ccc2c(c1)OCO2)=O)Nc1ccc(cc1)[Br])=O |
Stereo: | ACHIRAL |
logP: | 5.5333 |
logD: | 5.4802 |
logSw: | -5.4681 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 78.802 |
InChI Key: | ISJFZULWKJKRAG-UHFFFAOYSA-N |