ethyl 6-{[4-(ethylcarbamoyl)-1,4-diazepan-1-yl]methyl}-1-methyl-2-oxo-4-(3-phenoxyphenyl)-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-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(ethylcarbamoyl)-1,4-diazepan-1-yl]methyl}-1-methyl-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V019-5584 |
| Compound Name: | ethyl 6-{[4-(ethylcarbamoyl)-1,4-diazepan-1-yl]methyl}-1-methyl-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 535.64 |
| Molecular Formula: | C29 H37 N5 O5 |
| Salt: | not_available |
| Smiles: | CCNC(N1CCCN(CC1)CC1=C(C(c2cccc(c2)Oc2ccccc2)NC(N1C)=O)C(=O)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2244 |
| logD: | -0.6131 |
| logSw: | -3.5782 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.098 |
| InChI Key: | PCNNBEKVNWRRPP-AREMUKBSSA-N |