[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl](4-butylphenyl)methanone
Chemical Structure Depiction of
[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl](4-butylphenyl)methanone
[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl](4-butylphenyl)methanone
Compound characteristics
| Compound ID: | V031-0102 |
| Compound Name: | [4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl](4-butylphenyl)methanone |
| Molecular Weight: | 470.66 |
| Molecular Formula: | C30 H38 N4 O |
| Salt: | not_available |
| Smiles: | CCCCc1ccc(cc1)C(N1CCCN(CC1)c1c(Cc2ccccc2)c(CC)nc(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8646 |
| logD: | 6.7549 |
| logSw: | -5.7152 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 39.589 |
| InChI Key: | JTDUQAWYDAGQPV-UHFFFAOYSA-N |