3-chloro-N-(4-{[4-(3,4-dimethylanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
Chemical Structure Depiction of
3-chloro-N-(4-{[4-(3,4-dimethylanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
3-chloro-N-(4-{[4-(3,4-dimethylanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
Compound characteristics
| Compound ID: | V007-5194 |
| Compound Name: | 3-chloro-N-(4-{[4-(3,4-dimethylanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide |
| Molecular Weight: | 550.08 |
| Molecular Formula: | C29 H28 Cl N3 O4 S |
| Smiles: | Cc1ccc(cc1C)NC1=C(C(N(CCCOC)C1=O)=O)Sc1ccc(cc1)NC(c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.9589 |
| logD: | 5.9575 |
| logSw: | -6.0186 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.286 |
| InChI Key: | WCDNWQHYFFOIQG-UHFFFAOYSA-N |