methyl 6-methyl-2-oxo-1-propyl-4-{3-[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]phenyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 6-methyl-2-oxo-1-propyl-4-{3-[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]phenyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 6-methyl-2-oxo-1-propyl-4-{3-[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]phenyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V001-3711 |
| Compound Name: | methyl 6-methyl-2-oxo-1-propyl-4-{3-[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]phenyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 465.59 |
| Molecular Formula: | C27 H35 N3 O4 |
| Smiles: | CCCN1C(C)=C(C(c2cccc(c2)NC(C23CC4CC(CC(C4)C3)C2)=O)NC1=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3585 |
| logD: | 5.3569 |
| logSw: | -5.3908 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.186 |
| InChI Key: | QKHLXCSWXMYSEF-YMJVSDDVSA-N |