1-(4-{5-[(3-chlorophenyl)methyl]-6-(methoxymethyl)-2-(propan-2-yl)pyrimidin-4-yl}piperazin-1-yl)-2-methoxyethan-1-one
Chemical Structure Depiction of
1-(4-{5-[(3-chlorophenyl)methyl]-6-(methoxymethyl)-2-(propan-2-yl)pyrimidin-4-yl}piperazin-1-yl)-2-methoxyethan-1-one
1-(4-{5-[(3-chlorophenyl)methyl]-6-(methoxymethyl)-2-(propan-2-yl)pyrimidin-4-yl}piperazin-1-yl)-2-methoxyethan-1-one
Compound characteristics
Compound ID: | V027-1490 |
Compound Name: | 1-(4-{5-[(3-chlorophenyl)methyl]-6-(methoxymethyl)-2-(propan-2-yl)pyrimidin-4-yl}piperazin-1-yl)-2-methoxyethan-1-one |
Molecular Weight: | 446.98 |
Molecular Formula: | C23 H31 Cl N4 O3 |
Salt: | not_available |
Smiles: | CC(C)c1nc(COC)c(Cc2cccc(c2)[Cl])c(n1)N1CCN(CC1)C(COC)=O |
Stereo: | ACHIRAL |
logP: | 3.7111 |
logD: | 3.6157 |
logSw: | -4.0705 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 56.237 |
InChI Key: | NJJUGLXKLKOKFA-UHFFFAOYSA-N |