6-amino-2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-amino-2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)pyrimidin-4(3H)-one
6-amino-2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | D058-0177 |
| Compound Name: | 6-amino-2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)pyrimidin-4(3H)-one |
| Molecular Weight: | 375.45 |
| Molecular Formula: | C17 H21 N5 O3 S |
| Smiles: | COc1ccccc1N1CCN(CC1)C(CSC1NC(C=C(N)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3815 |
| logD: | 0.3797 |
| logSw: | -2.0835 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.663 |
| InChI Key: | SMDJECDTRPAQFQ-UHFFFAOYSA-N |