4-[4-(1,2-dihydroacenaphthylene-3-sulfonyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine
Chemical Structure Depiction of
4-[4-(1,2-dihydroacenaphthylene-3-sulfonyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine
4-[4-(1,2-dihydroacenaphthylene-3-sulfonyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine
Compound characteristics
| Compound ID: | D575-0053 |
| Compound Name: | 4-[4-(1,2-dihydroacenaphthylene-3-sulfonyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine |
| Molecular Weight: | 499.63 |
| Molecular Formula: | C28 H29 N5 O2 S |
| Smiles: | Cc1ccc(cc1)Nc1nc(C)cc(n1)N1CCN(CC1)S(c1ccc2cccc3CCc1c23)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6519 |
| logD: | 6.5917 |
| logSw: | -6.6554 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.112 |
| InChI Key: | SPRCLENSVXXVRX-UHFFFAOYSA-N |