4-chloro-N-(4-{[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
4-chloro-N-(4-{[4-(4-methoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzene-1-sulfonamide
4-chloro-N-(4-{[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: | V029-9620 |
| Compound Name: | 4-chloro-N-(4-{[4-(4-methoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzene-1-sulfonamide |
| Molecular Weight: | 588.1 |
| Molecular Formula: | C27 H26 Cl N3 O6 S2 |
| Salt: | not_available |
| Smiles: | COCCCN1C(C(=C(C1=O)Sc1ccc(cc1)NS(c1ccc(cc1)[Cl])(=O)=O)Nc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.831 |
| logD: | 4.7366 |
| logSw: | -4.7791 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.389 |
| InChI Key: | MXJHOWCLDVQNKZ-UHFFFAOYSA-N |