ethyl 6-{[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]methyl}-2-oxo-4-(3-phenoxyphenyl)-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]methyl}-2-oxo-4-(3-phenoxyphenyl)-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]methyl}-2-oxo-4-(3-phenoxyphenyl)-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V015-9443 |
| Compound Name: | ethyl 6-{[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]methyl}-2-oxo-4-(3-phenoxyphenyl)-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 560.69 |
| Molecular Formula: | C32 H40 N4 O5 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2cccc(c2)Oc2ccccc2)NC(N(CC=C)C=1CN1CCCN(CC1)C(C(C)C)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6512 |
| logD: | 2.6236 |
| logSw: | -4.3544 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.542 |
| InChI Key: | PEYRICJLJCWYGC-GDLZYMKVSA-N |