ethyl 2-amino-5-oxo-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]thiophen-2-yl}-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
ethyl 2-amino-5-oxo-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]thiophen-2-yl}-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
ethyl 2-amino-5-oxo-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]thiophen-2-yl}-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 8017-3671 |
| Compound Name: | ethyl 2-amino-5-oxo-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]thiophen-2-yl}-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 400.45 |
| Molecular Formula: | C19 H20 N4 O4 S |
| Smiles: | CCOC(C1C(C2=C(CCCC2=O)OC=1N)c1cc(Cn2cncn2)cs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0925 |
| logD: | 1.0925 |
| logSw: | -1.7723 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.295 |
| InChI Key: | IIQBNNKTAKNOPZ-MRXNPFEDSA-N |