methyl 3-(6-{[(3-chlorophenyl)methyl]amino}-6-oxohexyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-(6-{[(3-chlorophenyl)methyl]amino}-6-oxohexyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-(6-{[(3-chlorophenyl)methyl]amino}-6-oxohexyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K221-2516 |
| Compound Name: | methyl 3-(6-{[(3-chlorophenyl)methyl]amino}-6-oxohexyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 457.91 |
| Molecular Formula: | C23 H24 Cl N3 O5 |
| Smiles: | COC(c1ccc2C(N(CCCCCC(NCc3cccc(c3)[Cl])=O)C(Nc2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7801 |
| logD: | 3.777 |
| logSw: | -4.2034 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.104 |
| InChI Key: | NOWVOFUCBNEXMO-UHFFFAOYSA-N |