4-chloro-N-[3-({1-[(furan-2-yl)methyl]-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide
Chemical Structure Depiction of
4-chloro-N-[3-({1-[(furan-2-yl)methyl]-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide
4-chloro-N-[3-({1-[(furan-2-yl)methyl]-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide
Compound characteristics
| Compound ID: | V031-0085 |
| Compound Name: | 4-chloro-N-[3-({1-[(furan-2-yl)methyl]-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide |
| Molecular Weight: | 560.03 |
| Molecular Formula: | C29 H22 Cl N3 O5 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)NC1=C(C(N(Cc2ccco2)C1=O)=O)Sc1cccc(c1)NC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4379 |
| logD: | 5.437 |
| logSw: | -6.0079 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.987 |
| InChI Key: | CWWHUEXLVZJTQP-UHFFFAOYSA-N |