3-methoxy-N-(3-{[4-(4-methylanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
Chemical Structure Depiction of
3-methoxy-N-(3-{[4-(4-methylanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
3-methoxy-N-(3-{[4-(4-methylanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
Compound characteristics
| Compound ID: | V031-0092 |
| Compound Name: | 3-methoxy-N-(3-{[4-(4-methylanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide |
| Molecular Weight: | 515.63 |
| Molecular Formula: | C29 H29 N3 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)CN1C(C(=C(C1=O)Sc1cccc(c1)NC(c1cccc(c1)OC)=O)Nc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7321 |
| logD: | 5.7308 |
| logSw: | -5.3657 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.509 |
| InChI Key: | NUVNGFJWINRNSG-UHFFFAOYSA-N |