3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)-N-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)-N-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)-N-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0428 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)-N-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 596.6 |
| Molecular Formula: | C32 H28 N4 O8 |
| Smiles: | COc1ccc(CNC(c2ccc3C(N(Cc4ccc5c(c4)OCO5)C(N(CC(NCc4ccco4)=O)c3c2)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8429 |
| logD: | 3.8429 |
| logSw: | -4.0854 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.56 |
| InChI Key: | VRYXMXZPOIBSJQ-UHFFFAOYSA-N |