3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)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-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0392 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 593.64 |
| Molecular Formula: | C33 H31 N5 O6 |
| Smiles: | CC1=CC=CC2=NC(CN3C(N(Cc4ccc5c(c4)OCO5)C(c4ccc(cc34)C(NC3CCCCC3)=O)=O)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0345 |
| logD: | 4.0345 |
| logSw: | -4.3134 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.172 |
| InChI Key: | KVNUCROTVGHRTI-UHFFFAOYSA-N |