2-(azepane-1-carbonyl)-N-[(5-methylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
Chemical Structure Depiction of
2-(azepane-1-carbonyl)-N-[(5-methylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
2-(azepane-1-carbonyl)-N-[(5-methylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
Compound characteristics
| Compound ID: | T408-2158 |
| Compound Name: | 2-(azepane-1-carbonyl)-N-[(5-methylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide |
| Molecular Weight: | 400.54 |
| Molecular Formula: | C22 H28 N2 O3 S |
| Smiles: | Cc1ccc(CNC(C2CCc3c(C2)cc(C(N2CCCCCC2)=O)s3)=O)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2545 |
| logD: | 4.2545 |
| logSw: | -4.1506 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.833 |
| InChI Key: | BVPICYHQVVZJQQ-MRXNPFEDSA-N |