N-(3-{[1-(3-methoxypropyl)-4-(4-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methylbenzamide
Chemical Structure Depiction of
N-(3-{[1-(3-methoxypropyl)-4-(4-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methylbenzamide
N-(3-{[1-(3-methoxypropyl)-4-(4-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methylbenzamide
Compound characteristics
Compound ID: | V028-3394 |
Compound Name: | N-(3-{[1-(3-methoxypropyl)-4-(4-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methylbenzamide |
Molecular Weight: | 515.63 |
Molecular Formula: | C29 H29 N3 O4 S |
Salt: | not_available |
Smiles: | Cc1ccc(cc1)C(Nc1cccc(c1)SC1=C(C(N(CCCOC)C1=O)=O)Nc1ccc(C)cc1)=O |
Stereo: | ACHIRAL |
logP: | 5.0463 |
logD: | 5.0449 |
logSw: | -4.597 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 70.286 |
InChI Key: | LSYJCOWFQPNJBS-UHFFFAOYSA-N |