methyl 2-amino-4-(4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
methyl 2-amino-4-(4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
methyl 2-amino-4-(4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 8017-1309 |
| Compound Name: | methyl 2-amino-4-(4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 484.61 |
| Molecular Formula: | C23 H20 N2 O4 S3 |
| Smiles: | COC(C1C(C2=C(CCCC2=O)OC=1N)c1cc(CSc2nc3ccccc3s2)cs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4075 |
| logD: | 4.4075 |
| logSw: | -4.6811 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.548 |
| InChI Key: | IHMNWROGEAQZJI-LJQANCHMSA-N |