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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
Available: 3 mg
Amount:
mg
Format:
$83.09
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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
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