methyl 2-{[2-(5-methylthiophen-2-yl)azepane-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(5-methylthiophen-2-yl)azepane-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[2-(5-methylthiophen-2-yl)azepane-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | J007-1268 |
| Compound Name: | methyl 2-{[2-(5-methylthiophen-2-yl)azepane-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 432.6 |
| Molecular Formula: | C22 H28 N2 O3 S2 |
| Smiles: | Cc1ccc(C2CCCCCN2C(Nc2c(C(=O)OC)c3CCCCc3s2)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7967 |
| logD: | 5.3293 |
| logSw: | -5.4594 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.368 |
| InChI Key: | HEDNIWPNJHTGAP-INIZCTEOSA-N |