methyl 2-{2-[(4,6-dioxo-5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetamido}-1,3-benzothiazole-6-carboxylate
Chemical Structure Depiction of
methyl 2-{2-[(4,6-dioxo-5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetamido}-1,3-benzothiazole-6-carboxylate
methyl 2-{2-[(4,6-dioxo-5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetamido}-1,3-benzothiazole-6-carboxylate
Compound characteristics
| Compound ID: | 5493-0044 |
| Compound Name: | methyl 2-{2-[(4,6-dioxo-5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetamido}-1,3-benzothiazole-6-carboxylate |
| Molecular Weight: | 468.51 |
| Molecular Formula: | C21 H16 N4 O5 S2 |
| Smiles: | COC(c1ccc2c(c1)sc(NC(CSC1NC(C(C(N=1)=O)c1ccccc1)=O)=O)n2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7354 |
| logD: | -5.3865 |
| logSw: | -3.3443 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.107 |
| InChI Key: | UXFAAPWBOGYZNX-UHFFFAOYSA-N |