N-(4-{[4-(4-methoxyanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)furan-2-carboxamide
Chemical Structure Depiction of
N-(4-{[4-(4-methoxyanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)furan-2-carboxamide
N-(4-{[4-(4-methoxyanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)furan-2-carboxamide
Compound characteristics
| Compound ID: | V027-2391 |
| Compound Name: | N-(4-{[4-(4-methoxyanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)furan-2-carboxamide |
| Molecular Weight: | 491.57 |
| Molecular Formula: | C26 H25 N3 O5 S |
| Salt: | not_available |
| Smiles: | CC(C)CN1C(C(=C(C1=O)Sc1ccc(cc1)NC(c1ccco1)=O)Nc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6107 |
| logD: | 4.6086 |
| logSw: | -4.2442 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.088 |
| InChI Key: | YHZOGSJBEJQBCS-UHFFFAOYSA-N |