ethyl 6-({[(2H-1,3-benzodioxol-5-yl)methyl](4-fluorobenzene-1-sulfonyl)amino}methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-({[(2H-1,3-benzodioxol-5-yl)methyl](4-fluorobenzene-1-sulfonyl)amino}methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-({[(2H-1,3-benzodioxol-5-yl)methyl](4-fluorobenzene-1-sulfonyl)amino}methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8018-1186 |
| Compound Name: | ethyl 6-({[(2H-1,3-benzodioxol-5-yl)methyl](4-fluorobenzene-1-sulfonyl)amino}methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 597.62 |
| Molecular Formula: | C29 H28 F N3 O8 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)OC)NC(NC=1CN(Cc1ccc2c(c1)OCO2)S(c1ccc(cc1)F)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9688 |
| logD: | 2.2481 |
| logSw: | -4.0582 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.815 |
| InChI Key: | KRRSZICSCRKSCH-HHHXNRCGSA-N |