methyl 2-{2-[(5-ethyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetamido}-1,3-benzothiazole-6-carboxylate
Chemical Structure Depiction of
methyl 2-{2-[(5-ethyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetamido}-1,3-benzothiazole-6-carboxylate
methyl 2-{2-[(5-ethyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetamido}-1,3-benzothiazole-6-carboxylate
Compound characteristics
| Compound ID: | 5493-0038 |
| Compound Name: | methyl 2-{2-[(5-ethyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetamido}-1,3-benzothiazole-6-carboxylate |
| Molecular Weight: | 420.46 |
| Molecular Formula: | C17 H16 N4 O5 S2 |
| Smiles: | CCC1C(NC(=NC1=O)SCC(Nc1nc2ccc(cc2s1)C(=O)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0377 |
| logD: | -3.1461 |
| logSw: | -2.8456 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.379 |
| InChI Key: | ANRVNRKRQAXGBZ-UHFFFAOYSA-N |