3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-1-[(2-methylphenyl)methyl]-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-methylphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-1-[(2-methylphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0400 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-1-[(2-methylphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 525.6 |
| Molecular Formula: | C31 H31 N3 O5 |
| Smiles: | Cc1ccccc1CN1C(N(Cc2ccc3c(c2)OCO3)C(c2ccc(cc12)C(NC1CCCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0776 |
| logD: | 6.0776 |
| logSw: | -5.3567 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.521 |
| InChI Key: | NOHAHKBGTYXTBI-UHFFFAOYSA-N |