methyl 4-(2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | Y505-4911 |
| Compound Name: | methyl 4-(2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 374.42 |
| Molecular Formula: | C17 H18 N4 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CSC1=NC(C=C(N)N1CC=C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4462 |
| logD: | 1.4461 |
| logSw: | -2.2215 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.386 |
| InChI Key: | QDKFNBKBGKIFBF-UHFFFAOYSA-N |