ethyl 6-{[4-(tert-butylcarbamoyl)-1,4-diazepan-1-yl]methyl}-4-(4-methoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(tert-butylcarbamoyl)-1,4-diazepan-1-yl]methyl}-4-(4-methoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(tert-butylcarbamoyl)-1,4-diazepan-1-yl]methyl}-4-(4-methoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V003-0318 |
| Compound Name: | ethyl 6-{[4-(tert-butylcarbamoyl)-1,4-diazepan-1-yl]methyl}-4-(4-methoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 501.63 |
| Molecular Formula: | C26 H39 N5 O5 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2ccc(cc2)OC)NC(N(C)C=1CN1CCCN(CC1)C(NC(C)(C)C)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.505 |
| logD: | -1.3324 |
| logSw: | -2.888 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.092 |
| InChI Key: | NSUCCXSLMGCNJW-JOCHJYFZSA-N |