methyl 5-amino-7-(4-bromothiophen-2-yl)-6-cyano-2-methyl-7H-thieno[3,2-b]pyran-3-carboxylate
Chemical Structure Depiction of
methyl 5-amino-7-(4-bromothiophen-2-yl)-6-cyano-2-methyl-7H-thieno[3,2-b]pyran-3-carboxylate
methyl 5-amino-7-(4-bromothiophen-2-yl)-6-cyano-2-methyl-7H-thieno[3,2-b]pyran-3-carboxylate
Compound characteristics
| Compound ID: | 8016-3783 |
| Compound Name: | methyl 5-amino-7-(4-bromothiophen-2-yl)-6-cyano-2-methyl-7H-thieno[3,2-b]pyran-3-carboxylate |
| Molecular Weight: | 411.29 |
| Molecular Formula: | C15 H11 Br N2 O3 S2 |
| Smiles: | Cc1c(C(=O)OC)c2c(C(C(C#N)=C(N)O2)c2cc(cs2)[Br])s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6066 |
| logD: | 3.6066 |
| logSw: | -4.22 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.189 |
| InChI Key: | KRJCCTZGOZLVHM-NSHDSACASA-N |