2-(azepane-1-carbonyl)-N-[(thiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
Chemical Structure Depiction of
2-(azepane-1-carbonyl)-N-[(thiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
2-(azepane-1-carbonyl)-N-[(thiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
Compound characteristics
| Compound ID: | T408-2159 |
| Compound Name: | 2-(azepane-1-carbonyl)-N-[(thiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide |
| Molecular Weight: | 402.58 |
| Molecular Formula: | C21 H26 N2 O2 S2 |
| Smiles: | C1CCCN(CC1)C(c1cc2CC(CCc2s1)C(NCc1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.172 |
| logD: | 4.172 |
| logSw: | -4.066 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.588 |
| InChI Key: | YMHYBUXZCZJBAA-OAHLLOKOSA-N |