2-[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-{[4-(2-phenylethyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-{[4-(2-phenylethyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one
2-[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-{[4-(2-phenylethyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V011-2642 |
| Compound Name: | 2-[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-{[4-(2-phenylethyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one |
| Molecular Weight: | 550.72 |
| Molecular Formula: | C29 H38 N6 O3 S |
| Smiles: | Cc1ccc(cc1)S(N1CCCN(CC1)C1NC(C=C(CN2CCN(CCc3ccccc3)CC2)N=1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8013 |
| logD: | 1.1202 |
| logSw: | -3.4916 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.464 |
| InChI Key: | MCABFJSEZQVNJS-UHFFFAOYSA-N |