N-[4-({4-(2,4-dimethoxyanilino)-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[4-({4-(2,4-dimethoxyanilino)-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
N-[4-({4-(2,4-dimethoxyanilino)-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V030-4843 |
| Compound Name: | N-[4-({4-(2,4-dimethoxyanilino)-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 599.62 |
| Molecular Formula: | C31 H25 N3 O8 S |
| Salt: | not_available |
| Smiles: | COc1ccc(c(c1)OC)NC1=C(C(N(Cc2ccco2)C1=O)=O)Sc1ccc(cc1)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.961 |
| logD: | 4.9461 |
| logSw: | -4.6223 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.035 |
| InChI Key: | YKMHBANYUCIJPH-UHFFFAOYSA-N |