1-[6-methyl-4-(4-methylpiperazin-1-yl)-1-(prop-2-en-1-yl)-2-sulfanylidene-1,2-dihydropyrimidin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[6-methyl-4-(4-methylpiperazin-1-yl)-1-(prop-2-en-1-yl)-2-sulfanylidene-1,2-dihydropyrimidin-5-yl]ethan-1-one
1-[6-methyl-4-(4-methylpiperazin-1-yl)-1-(prop-2-en-1-yl)-2-sulfanylidene-1,2-dihydropyrimidin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | 6623-1049 |
| Compound Name: | 1-[6-methyl-4-(4-methylpiperazin-1-yl)-1-(prop-2-en-1-yl)-2-sulfanylidene-1,2-dihydropyrimidin-5-yl]ethan-1-one |
| Molecular Weight: | 306.43 |
| Molecular Formula: | C15 H22 N4 O S |
| Smiles: | CC1=C(C(=NC(N1CC=C)=S)N1CCN(C)CC1)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 0.689 |
| logD: | 0.3489 |
| logSw: | -1.1753 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 31.0316 |
| InChI Key: | PUWMPPJPJDXCFE-UHFFFAOYSA-N |