N-(3-{[4-(4-bromoanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methylbutanamide
Chemical Structure Depiction of
N-(3-{[4-(4-bromoanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methylbutanamide
N-(3-{[4-(4-bromoanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methylbutanamide
Compound characteristics
Compound ID: | V028-3433 |
Compound Name: | N-(3-{[4-(4-bromoanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methylbutanamide |
Molecular Weight: | 550.47 |
Molecular Formula: | C27 H24 Br N3 O3 S |
Salt: | not_available |
Smiles: | CC(C)CC(Nc1cccc(c1)SC1=C(C(N(C1=O)c1ccccc1)=O)Nc1ccc(cc1)[Br])=O |
Stereo: | ACHIRAL |
logP: | 5.6494 |
logD: | 5.6492 |
logSw: | -5.4199 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 61.141 |
InChI Key: | BTQJVXAQWKLDGZ-UHFFFAOYSA-N |