N-[3-({4-anilino-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-[3-({4-anilino-1-[(furan-2-yl)methyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
N-[3-({4-anilino-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: | V027-2306 |
| Compound Name: | N-[3-({4-anilino-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: | 539.57 |
| Molecular Formula: | C29 H21 N3 O6 S |
| Salt: | not_available |
| Smiles: | C(c1ccco1)N1C(C(=C(C1=O)Sc1cccc(c1)NC(c1ccc2c(c1)OCO2)=O)Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5914 |
| logD: | 4.5912 |
| logSw: | -4.5262 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.558 |
| InChI Key: | ZRZKEFGYJQBUPN-UHFFFAOYSA-N |