ethyl 4-(3,4-dichlorophenyl)-2-oxo-6-({4-[(propan-2-yl)carbamoyl]-1,4-diazepan-1-yl}methyl)-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(3,4-dichlorophenyl)-2-oxo-6-({4-[(propan-2-yl)carbamoyl]-1,4-diazepan-1-yl}methyl)-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(3,4-dichlorophenyl)-2-oxo-6-({4-[(propan-2-yl)carbamoyl]-1,4-diazepan-1-yl}methyl)-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
Compound ID: | V015-8748 |
Compound Name: | ethyl 4-(3,4-dichlorophenyl)-2-oxo-6-({4-[(propan-2-yl)carbamoyl]-1,4-diazepan-1-yl}methyl)-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
Molecular Weight: | 552.5 |
Molecular Formula: | C26 H35 Cl2 N5 O4 |
Salt: | not_available |
Smiles: | CCOC(C1C(c2ccc(c(c2)[Cl])[Cl])NC(N(CC=C)C=1CN1CCCN(CC1)C(NC(C)C)=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.4032 |
logD: | 0.8156 |
logSw: | -4.6029 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 78.911 |
InChI Key: | HGAUPWXBNWPONV-QHCPKHFHSA-N |