2-{[2-(1,3-benzothiazole-2-sulfonyl)ethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(1,3-benzothiazole-2-sulfonyl)ethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-{[2-(1,3-benzothiazole-2-sulfonyl)ethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4378-0049 |
| Compound Name: | 2-{[2-(1,3-benzothiazole-2-sulfonyl)ethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 415.55 |
| Molecular Formula: | C19 H17 N3 O2 S3 |
| Smiles: | C1CCc2c(C1)cc(C#N)c(n2)SCCS(c1nc2ccccc2s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3743 |
| logD: | 4.3743 |
| logSw: | -4.467 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.723 |
| InChI Key: | IPQOQUVTRNCIMM-UHFFFAOYSA-N |