ethyl 1-methyl-6-{[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-2-oxo-4-(3-phenoxyphenyl)-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}-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-methyl-6-{[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V025-0451 |
| Compound Name: | ethyl 1-methyl-6-{[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 618.75 |
| Molecular Formula: | C33 H38 N4 O6 S |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2cccc(c2)Oc2ccccc2)NC(N(C)C=1CN1CCCN(CC1)S(c1ccc(C)cc1)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8893 |
| logD: | 4.4115 |
| logSw: | -4.5631 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.12 |
| InChI Key: | QDFAZMFMDCIYLE-WJOKGBTCSA-N |