ethyl 2-{2-[(1,3-benzothiazol-2-yl)sulfanyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(1,3-benzothiazol-2-yl)sulfanyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[(1,3-benzothiazol-2-yl)sulfanyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8007-4285 |
| Compound Name: | ethyl 2-{2-[(1,3-benzothiazol-2-yl)sulfanyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 460.64 |
| Molecular Formula: | C22 H24 N2 O3 S3 |
| Smiles: | CCC(C(Nc1c(C(=O)OCC)c2CCCCc2s1)=O)Sc1nc2ccccc2s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4307 |
| logD: | 3.9608 |
| logSw: | -5.7288 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.88 |
| InChI Key: | MBMYTTQFJXLTCE-HNNXBMFYSA-N |