2-methylbut-3-yn-2-yl 5-[(1,3-benzothiazol-2-yl)amino]-5-oxopentanoate
Chemical Structure Depiction of
2-methylbut-3-yn-2-yl 5-[(1,3-benzothiazol-2-yl)amino]-5-oxopentanoate
2-methylbut-3-yn-2-yl 5-[(1,3-benzothiazol-2-yl)amino]-5-oxopentanoate
Compound characteristics
| Compound ID: | 8010-2876 |
| Compound Name: | 2-methylbut-3-yn-2-yl 5-[(1,3-benzothiazol-2-yl)amino]-5-oxopentanoate |
| Molecular Weight: | 330.4 |
| Molecular Formula: | C17 H18 N2 O3 S |
| Smiles: | CC(C)(C#C)OC(CCCC(Nc1nc2ccccc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.828 |
| logD: | 2.8279 |
| logSw: | -3.4369 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.3 |
| InChI Key: | GLEMXTXVZGUROH-UHFFFAOYSA-N |