ethyl 6-{[4-(ethylcarbamoyl)-1,4-diazepan-1-yl]methyl}-4-(2-fluorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(ethylcarbamoyl)-1,4-diazepan-1-yl]methyl}-4-(2-fluorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(ethylcarbamoyl)-1,4-diazepan-1-yl]methyl}-4-(2-fluorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V018-5217 |
| Compound Name: | ethyl 6-{[4-(ethylcarbamoyl)-1,4-diazepan-1-yl]methyl}-4-(2-fluorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 461.54 |
| Molecular Formula: | C23 H32 F N5 O4 |
| Smiles: | CCNC(N1CCCN(CC1)CC1=C(C(c2ccccc2F)NC(N1C)=O)C(=O)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7176 |
| logD: | -2.1199 |
| logSw: | -2.1576 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.35 |
| InChI Key: | KQYYTUWWCKTZHS-FQEVSTJZSA-N |