1-{6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}-4-(naphthalene-2-sulfonyl)-1,4-diazepane
Chemical Structure Depiction of
1-{6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}-4-(naphthalene-2-sulfonyl)-1,4-diazepane
1-{6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}-4-(naphthalene-2-sulfonyl)-1,4-diazepane
Compound characteristics
| Compound ID: | V015-0602 |
| Compound Name: | 1-{6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}-4-(naphthalene-2-sulfonyl)-1,4-diazepane |
| Molecular Weight: | 514.69 |
| Molecular Formula: | C30 H34 N4 O2 S |
| Salt: | not_available |
| Smiles: | CCc1c(Cc2ccc(C)cc2)c(nc(C)n1)N1CCCN(CC1)S(c1ccc2ccccc2c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6657 |
| logD: | 6.556 |
| logSw: | -6.5483 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.38 |
| InChI Key: | QAEBNUGFEPRWDO-UHFFFAOYSA-N |