methyl 4-{3-methoxy-2-[(prop-2-yn-1-yl)oxy]phenyl}-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-{3-methoxy-2-[(prop-2-yn-1-yl)oxy]phenyl}-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-{3-methoxy-2-[(prop-2-yn-1-yl)oxy]phenyl}-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8016-7400 |
| Compound Name: | methyl 4-{3-methoxy-2-[(prop-2-yn-1-yl)oxy]phenyl}-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 330.34 |
| Molecular Formula: | C17 H18 N2 O5 |
| Smiles: | CC1=C(C(c2cccc(c2OCC#C)OC)NC(N1)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2986 |
| logD: | 1.1484 |
| logSw: | -1.7498 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.087 |
| InChI Key: | NNAJNNLYVJQLTM-CQSZACIVSA-N |