methyl 3-[6-(butylamino)-6-oxohexyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[6-(butylamino)-6-oxohexyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[6-(butylamino)-6-oxohexyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K221-2519 |
| Compound Name: | methyl 3-[6-(butylamino)-6-oxohexyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 389.45 |
| Molecular Formula: | C20 H27 N3 O5 |
| Smiles: | CCCCNC(CCCCCN1C(c2ccc(cc2NC1=O)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7364 |
| logD: | 2.7334 |
| logSw: | -3.2571 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.217 |
| InChI Key: | PUHGRYOMQUIXLB-UHFFFAOYSA-N |