ethyl 4-{2-[(6-amino-4-oxo-1,4-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(6-amino-4-oxo-1,4-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(6-amino-4-oxo-1,4-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | Y512-0184 |
| Compound Name: | ethyl 4-{2-[(6-amino-4-oxo-1,4-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 348.38 |
| Molecular Formula: | C15 H16 N4 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSC1NC(=CC(N=1)=O)N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.054 |
| logD: | 0.691 |
| logSw: | -2.312 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 98.58 |
| InChI Key: | VBXXUIACEQHQFQ-UHFFFAOYSA-N |