N-[3-({1-[(furan-2-yl)methyl]-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2,4-dimethoxybenzamide
Chemical Structure Depiction of
N-[3-({1-[(furan-2-yl)methyl]-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2,4-dimethoxybenzamide
N-[3-({1-[(furan-2-yl)methyl]-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | V031-0097 |
| Compound Name: | N-[3-({1-[(furan-2-yl)methyl]-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2,4-dimethoxybenzamide |
| Molecular Weight: | 585.64 |
| Molecular Formula: | C31 H27 N3 O7 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)NC1=C(C(N(Cc2ccco2)C1=O)=O)Sc1cccc(c1)NC(c1ccc(cc1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8677 |
| logD: | 4.8668 |
| logSw: | -4.5615 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.161 |
| InChI Key: | KOMFUHAYKUUQJM-UHFFFAOYSA-N |