2-chloro-N-(3-{[4-(2,4-dimethoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
Chemical Structure Depiction of
2-chloro-N-(3-{[4-(2,4-dimethoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
2-chloro-N-(3-{[4-(2,4-dimethoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
Compound characteristics
| Compound ID: | V030-8075 |
| Compound Name: | 2-chloro-N-(3-{[4-(2,4-dimethoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide |
| Molecular Weight: | 582.08 |
| Molecular Formula: | C29 H28 Cl N3 O6 S |
| Salt: | not_available |
| Smiles: | COCCCN1C(C(=C(C1=O)Sc1cccc(c1)NC(c1ccccc1[Cl])=O)Nc1ccc(cc1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7233 |
| logD: | 4.6701 |
| logSw: | -4.8165 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.763 |
| InChI Key: | SOVCQEBBPSLAPE-UHFFFAOYSA-N |