methyl 3-{2-[(6-amino-4-oxo-1,4-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 3-{2-[(6-amino-4-oxo-1,4-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoate
methyl 3-{2-[(6-amino-4-oxo-1,4-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 5004-0085 |
| Compound Name: | methyl 3-{2-[(6-amino-4-oxo-1,4-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 334.35 |
| Molecular Formula: | C14 H14 N4 O4 S |
| Smiles: | COC(c1cccc(c1)NC(CSC1NC(=CC(N=1)=O)N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7242 |
| logD: | 0.3609 |
| logSw: | -2.2385 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 99.004 |
| InChI Key: | VDVQWAUBPQNNMR-UHFFFAOYSA-N |