4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl octanoate
Chemical Structure Depiction of
4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl octanoate
4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl octanoate
Compound characteristics
| Compound ID: | 0591-5244 |
| Compound Name: | 4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl octanoate |
| Molecular Weight: | 410.53 |
| Molecular Formula: | C23 H26 N2 O3 S |
| Smiles: | CCCCCCCC(=O)Oc1ccc(cc1)C(Nc1nc2ccc(C)cc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8746 |
| logD: | 6.874 |
| logSw: | -5.4376 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.145 |
| InChI Key: | QWLYSNCLYHQPDA-UHFFFAOYSA-N |