ethyl 4-(4-methoxyphenyl)-1-methyl-6-{[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-methoxyphenyl)-1-methyl-6-{[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(4-methoxyphenyl)-1-methyl-6-{[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V003-0509 |
| Compound Name: | ethyl 4-(4-methoxyphenyl)-1-methyl-6-{[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 556.68 |
| Molecular Formula: | C28 H36 N4 O6 S |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2ccc(cc2)OC)NC(N(C)C=1CN1CCCN(CC1)S(c1ccc(C)cc1)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1302 |
| logD: | 2.6525 |
| logSw: | -3.4795 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.916 |
| InChI Key: | NSYINIBLSIJHSV-AREMUKBSSA-N |