methyl 6-amino-4-(5-bromothiophen-2-yl)-5-cyano-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
Chemical Structure Depiction of
methyl 6-amino-4-(5-bromothiophen-2-yl)-5-cyano-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
methyl 6-amino-4-(5-bromothiophen-2-yl)-5-cyano-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 8019-5474 |
| Compound Name: | methyl 6-amino-4-(5-bromothiophen-2-yl)-5-cyano-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate |
| Molecular Weight: | 413.24 |
| Molecular Formula: | C15 H13 Br N2 O5 S |
| Smiles: | COC(CC1=C(C(C(C#N)=C(N)O1)c1ccc(s1)[Br])C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9334 |
| logD: | 1.9334 |
| logSw: | -2.3811 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.658 |
| InChI Key: | KXRPTPXXJYFSEN-LBPRGKRZSA-N |