ethyl 1-methyl-6-{[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-4-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-methyl-6-{[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-4-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-methyl-6-{[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-4-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V019-9077 |
| Compound Name: | ethyl 1-methyl-6-{[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-4-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 540.68 |
| Molecular Formula: | C28 H36 N4 O5 S |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2cccc(C)c2)NC(N(C)C=1CN1CCCN(CC1)S(c1ccc(C)cc1)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7846 |
| logD: | 3.3068 |
| logSw: | -3.6863 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.372 |
| InChI Key: | OBHDGZMRWWOAFY-AREMUKBSSA-N |