methyl 5-[4-(azepan-1-yl)-4-oxobutanamido]-3-methoxy-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 5-[4-(azepan-1-yl)-4-oxobutanamido]-3-methoxy-1-benzothiophene-2-carboxylate
methyl 5-[4-(azepan-1-yl)-4-oxobutanamido]-3-methoxy-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | L312-0503 |
| Compound Name: | methyl 5-[4-(azepan-1-yl)-4-oxobutanamido]-3-methoxy-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 418.51 |
| Molecular Formula: | C21 H26 N2 O5 S |
| Smiles: | COC(c1c(c2cc(ccc2s1)NC(CCC(N1CCCCCC1)=O)=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.001 |
| logD: | 3.001 |
| logSw: | -3.434 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.477 |
| InChI Key: | JCYMAYUTYHXLNW-UHFFFAOYSA-N |