ethyl 6-({N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-fluorobenzamido}methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-({N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-fluorobenzamido}methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-({N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-fluorobenzamido}methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8018-0907 |
| Compound Name: | ethyl 6-({N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-fluorobenzamido}methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 561.57 |
| Molecular Formula: | C30 H28 F N3 O7 |
| Smiles: | CCOC(C1C(c2ccc(cc2)OC)NC(NC=1CN(Cc1ccc2c(c1)OCO2)C(c1cccc(c1)F)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5917 |
| logD: | 3.3761 |
| logSw: | -3.7521 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.651 |
| InChI Key: | HHDWVYFZCJQLQO-HHHXNRCGSA-N |