1-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-ethyl-6-methyl-2-sulfanylidene-1,2-dihydropyrimidin-5-yl)ethan-1-one
Chemical Structure Depiction of
1-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-ethyl-6-methyl-2-sulfanylidene-1,2-dihydropyrimidin-5-yl)ethan-1-one
1-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-ethyl-6-methyl-2-sulfanylidene-1,2-dihydropyrimidin-5-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8015-1057 |
| Compound Name: | 1-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-ethyl-6-methyl-2-sulfanylidene-1,2-dihydropyrimidin-5-yl)ethan-1-one |
| Molecular Weight: | 414.53 |
| Molecular Formula: | C21 H26 N4 O3 S |
| Smiles: | CCN1C(C)=C(C(=NC1=S)N1CCN(CC1)Cc1ccc2c(c1)OCO2)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8725 |
| logD: | 1.4137 |
| logSw: | -2.5268 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 47.957 |
| InChI Key: | PHBIKAKWBARONR-UHFFFAOYSA-N |