methyl 5-(azepan-1-yl)-4-phenylthiophene-2-carboxylate
Chemical Structure Depiction of
methyl 5-(azepan-1-yl)-4-phenylthiophene-2-carboxylate
methyl 5-(azepan-1-yl)-4-phenylthiophene-2-carboxylate
Compound characteristics
| Compound ID: | C798-0948 |
| Compound Name: | methyl 5-(azepan-1-yl)-4-phenylthiophene-2-carboxylate |
| Molecular Weight: | 315.43 |
| Molecular Formula: | C18 H21 N O2 S |
| Smiles: | COC(c1cc(c2ccccc2)c(N2CCCCCC2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1996 |
| logD: | 5.1996 |
| logSw: | -5.0685 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.9931 |
| InChI Key: | VPIBSYIKKQSQQQ-UHFFFAOYSA-N |