3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-1-{2-[ethyl(3-methylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-1-{2-[ethyl(3-methylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-1-{2-[ethyl(3-methylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0407 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-1-{2-[ethyl(3-methylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 596.68 |
| Molecular Formula: | C34 H36 N4 O6 |
| Smiles: | CCN(C(CN1C(N(Cc2ccc3c(c2)OCO3)C(c2ccc(cc12)C(NC1CCCCC1)=O)=O)=O)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.4123 |
| logD: | 5.4123 |
| logSw: | -5.2316 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.613 |
| InChI Key: | YPTUQNDHRFGKOR-UHFFFAOYSA-N |