methyl 6-amino-4-(4-bromo-5-methylthiophen-2-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
Chemical Structure Depiction of
methyl 6-amino-4-(4-bromo-5-methylthiophen-2-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
methyl 6-amino-4-(4-bromo-5-methylthiophen-2-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 8008-2242 |
| Compound Name: | methyl 6-amino-4-(4-bromo-5-methylthiophen-2-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate |
| Molecular Weight: | 369.23 |
| Molecular Formula: | C14 H13 Br N2 O3 S |
| Smiles: | CC1=C(C(C(C#N)=C(N)O1)c1cc(c(C)s1)[Br])C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6455 |
| logD: | 2.6455 |
| logSw: | -2.9494 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.885 |
| InChI Key: | UDSDKGYEFLVWBH-LBPRGKRZSA-N |