methyl 4-{4-[2-(azepan-1-yl)-2-oxoethoxy]phenyl}-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-{4-[2-(azepan-1-yl)-2-oxoethoxy]phenyl}-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-{4-[2-(azepan-1-yl)-2-oxoethoxy]phenyl}-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8008-0742 |
| Compound Name: | methyl 4-{4-[2-(azepan-1-yl)-2-oxoethoxy]phenyl}-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 401.46 |
| Molecular Formula: | C21 H27 N3 O5 |
| Smiles: | CC1=C(C(c2ccc(cc2)OCC(N2CCCCCC2)=O)NC(N1)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2938 |
| logD: | 1.1436 |
| logSw: | -1.8882 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.816 |
| InChI Key: | TXDXGKDBVOAOJH-LJQANCHMSA-N |