2,3-dichloro-N-(3-{[4-(4-methoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzene-1-sulfonamide
Chemical Structure Depiction of
2,3-dichloro-N-(3-{[4-(4-methoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzene-1-sulfonamide
2,3-dichloro-N-(3-{[4-(4-methoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | V029-7878 |
| Compound Name: | 2,3-dichloro-N-(3-{[4-(4-methoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzene-1-sulfonamide |
| Molecular Weight: | 622.55 |
| Molecular Formula: | C27 H25 Cl2 N3 O6 S2 |
| Salt: | not_available |
| Smiles: | COCCCN1C(C(=C(C1=O)Sc1cccc(c1)NS(c1cccc(c1[Cl])[Cl])(=O)=O)Nc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1274 |
| logD: | 5.104 |
| logSw: | -5.6342 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.389 |
| InChI Key: | NAKCJFPWCHQTOY-UHFFFAOYSA-N |