ethyl 4-{3-[(2H-1,3-benzodioxole-5-carbonyl)amino]phenyl}-1-butyl-2-oxo-6-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-{3-[(2H-1,3-benzodioxole-5-carbonyl)amino]phenyl}-1-butyl-2-oxo-6-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-{3-[(2H-1,3-benzodioxole-5-carbonyl)amino]phenyl}-1-butyl-2-oxo-6-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V002-8522 |
| Compound Name: | ethyl 4-{3-[(2H-1,3-benzodioxole-5-carbonyl)amino]phenyl}-1-butyl-2-oxo-6-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 541.6 |
| Molecular Formula: | C31 H31 N3 O6 |
| Smiles: | CCCCN1C(=C(C(c2cccc(c2)NC(c2ccc3c(c2)OCO3)=O)NC1=O)C(=O)OCC)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1635 |
| logD: | 6.1633 |
| logSw: | -5.4547 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.985 |
| InChI Key: | JWNPZJFGLKLODY-HHHXNRCGSA-N |