methyl 2-[2-(2-bromophenoxy)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(2-bromophenoxy)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[2-(2-bromophenoxy)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8012-1613 |
| Compound Name: | methyl 2-[2-(2-bromophenoxy)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 438.34 |
| Molecular Formula: | C19 H20 Br N O4 S |
| Smiles: | CC(C(Nc1c(C(=O)OC)c2CCCCc2s1)=O)Oc1ccccc1[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7829 |
| logD: | 2.3501 |
| logSw: | -4.6537 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.094 |
| InChI Key: | RVXNLBJHXVOUFO-NSHDSACASA-N |