ethyl 4-{2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 5493-0029 |
| Compound Name: | ethyl 4-{2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 347.39 |
| Molecular Formula: | C16 H17 N3 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSC1NC(C=C(C)N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0051 |
| logD: | 1.2831 |
| logSw: | -2.4592 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.203 |
| InChI Key: | MPTMBWCEQLUCHP-UHFFFAOYSA-N |