ethyl 2-amino-4-(4-bromo-5-methylthiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
ethyl 2-amino-4-(4-bromo-5-methylthiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
ethyl 2-amino-4-(4-bromo-5-methylthiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 8008-3373 |
| Compound Name: | ethyl 2-amino-4-(4-bromo-5-methylthiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 412.3 |
| Molecular Formula: | C17 H18 Br N O4 S |
| Smiles: | CCOC(C1C(C2=C(CCCC2=O)OC=1N)c1cc(c(C)s1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2575 |
| logD: | 3.2575 |
| logSw: | -3.5572 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.318 |
| InChI Key: | SQELANIHQTYYDQ-CQSZACIVSA-N |