methyl 2-[(1-oxo-1H-2-benzothiopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(1-oxo-1H-2-benzothiopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[(1-oxo-1H-2-benzothiopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D443-2503 |
| Compound Name: | methyl 2-[(1-oxo-1H-2-benzothiopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C20 H17 N O4 S2 |
| Smiles: | COC(c1c2CCCCc2sc1NC(C1=Cc2ccccc2C(=O)S1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3432 |
| logD: | 1.5409 |
| logSw: | -4.6037 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.212 |
| InChI Key: | SJKFAKDSQLPCCG-UHFFFAOYSA-N |