6-amino-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-amino-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}pyrimidin-4(3H)-one
6-amino-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | D058-0178 |
| Compound Name: | 6-amino-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}pyrimidin-4(3H)-one |
| Molecular Weight: | 345.42 |
| Molecular Formula: | C16 H19 N5 O2 S |
| Smiles: | C1CN(CCN1C(CSC1NC(C=C(N)N=1)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 0.3807 |
| logD: | 0.3791 |
| logSw: | -2.0594 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.334 |
| InChI Key: | NZGSVVRUUYNOBE-UHFFFAOYSA-N |