1-{6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}-4-(octane-1-sulfonyl)-1,4-diazepane
Chemical Structure Depiction of
1-{6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}-4-(octane-1-sulfonyl)-1,4-diazepane
1-{6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}-4-(octane-1-sulfonyl)-1,4-diazepane
Compound characteristics
Compound ID: | V017-4657 |
Compound Name: | 1-{6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}-4-(octane-1-sulfonyl)-1,4-diazepane |
Molecular Weight: | 500.75 |
Molecular Formula: | C28 H44 N4 O2 S |
Salt: | not_available |
Smiles: | CCCCCCCCS(N1CCCN(CC1)c1c(Cc2ccc(C)cc2)c(CC)nc(C)n1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 7.2507 |
logD: | 7.141 |
logSw: | -5.8118 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 54.818 |
InChI Key: | DRVNODGIQKUFGI-UHFFFAOYSA-N |