methyl 2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]butanoate
Chemical Structure Depiction of
methyl 2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]butanoate
methyl 2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]butanoate
Compound characteristics
| Compound ID: | 6386-0008 |
| Compound Name: | methyl 2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]butanoate |
| Molecular Weight: | 307.39 |
| Molecular Formula: | C13 H13 N3 O2 S2 |
| Smiles: | CCC(C(=O)OC)Sc1nnc2n1c1ccccc1s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2832 |
| logD: | 3.2831 |
| logSw: | -3.408 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.752 |
| InChI Key: | IPCVLLMSMUQAKL-VIFPVBQESA-N |