N-(3-{[4-(4-bromoanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methylbutanamide
Chemical Structure Depiction of
N-(3-{[4-(4-bromoanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methylbutanamide
N-(3-{[4-(4-bromoanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methylbutanamide
Compound characteristics
Compound ID: | V027-9240 |
Compound Name: | N-(3-{[4-(4-bromoanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methylbutanamide |
Molecular Weight: | 546.48 |
Molecular Formula: | C25 H28 Br N3 O4 S |
Salt: | not_available |
Smiles: | CC(C)CC(Nc1cccc(c1)SC1=C(C(N(CCCOC)C1=O)=O)Nc1ccc(cc1)[Br])=O |
Stereo: | ACHIRAL |
logP: | 4.8316 |
logD: | 4.776 |
logSw: | -4.4659 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 70.344 |
InChI Key: | JIJVUAYAGXDBAU-UHFFFAOYSA-N |