N-(4-{[4-(4-bromoanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-fluorobenzamide
Chemical Structure Depiction of
N-(4-{[4-(4-bromoanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-fluorobenzamide
N-(4-{[4-(4-bromoanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-fluorobenzamide
Compound characteristics
Compound ID: | V028-5706 |
Compound Name: | N-(4-{[4-(4-bromoanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-fluorobenzamide |
Molecular Weight: | 568.46 |
Molecular Formula: | C27 H23 Br F N3 O3 S |
Salt: | not_available |
Smiles: | CC(C)CN1C(C(=C(C1=O)Sc1ccc(cc1)NC(c1ccc(cc1)F)=O)Nc1ccc(cc1)[Br])=O |
Stereo: | ACHIRAL |
logP: | 6.2187 |
logD: | 6.1632 |
logSw: | -5.5395 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 61.965 |
InChI Key: | YALBIIKAKBBNHA-UHFFFAOYSA-N |