(4-{6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}-1,4-diazepan-1-yl)(4-methylphenyl)methanone
Chemical Structure Depiction of
(4-{6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}-1,4-diazepan-1-yl)(4-methylphenyl)methanone
(4-{6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}-1,4-diazepan-1-yl)(4-methylphenyl)methanone
Compound characteristics
| Compound ID: | V030-5963 |
| Compound Name: | (4-{6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}-1,4-diazepan-1-yl)(4-methylphenyl)methanone |
| Molecular Weight: | 442.6 |
| Molecular Formula: | C28 H34 N4 O |
| Salt: | not_available |
| Smiles: | CCc1c(Cc2ccc(C)cc2)c(nc(C)n1)N1CCCN(CC1)C(c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7421 |
| logD: | 5.6324 |
| logSw: | -5.3675 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 39.589 |
| InChI Key: | VXIFHNBFERPRNR-UHFFFAOYSA-N |