ethyl 6-{[4-(ethylcarbamoyl)-1,4-diazepan-1-yl]methyl}-1-methyl-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(ethylcarbamoyl)-1,4-diazepan-1-yl]methyl}-1-methyl-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(ethylcarbamoyl)-1,4-diazepan-1-yl]methyl}-1-methyl-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V014-6008 |
| Compound Name: | ethyl 6-{[4-(ethylcarbamoyl)-1,4-diazepan-1-yl]methyl}-1-methyl-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 485.63 |
| Molecular Formula: | C26 H39 N5 O4 |
| Salt: | not_available |
| Smiles: | CCNC(N1CCCN(CC1)CC1=C(C(c2ccc(cc2)C(C)C)NC(N1C)=O)C(=O)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8211 |
| logD: | -1.0164 |
| logSw: | -3.1517 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.35 |
| InChI Key: | ZTHCYOAIZGKDBJ-HSZRJFAPSA-N |