2-cyano-N-(3-{[4-(4-methoxyanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzene-1-sulfonamide
Chemical Structure Depiction of
2-cyano-N-(3-{[4-(4-methoxyanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzene-1-sulfonamide
2-cyano-N-(3-{[4-(4-methoxyanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | V028-3459 |
| Compound Name: | 2-cyano-N-(3-{[4-(4-methoxyanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzene-1-sulfonamide |
| Molecular Weight: | 582.66 |
| Molecular Formula: | C30 H22 N4 O5 S2 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)NC1=C(C(N(C1=O)c1ccccc1)=O)Sc1cccc(c1)NS(c1ccccc1C#N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4044 |
| logD: | 4.3811 |
| logSw: | -4.3699 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.241 |
| InChI Key: | CVEGJBASDLPKHM-UHFFFAOYSA-N |