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 |