N-{2-[(2-amino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide
Chemical Structure Depiction of
N-{2-[(2-amino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide
N-{2-[(2-amino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide
Compound characteristics
| Compound ID: | D336-6047 |
| Compound Name: | N-{2-[(2-amino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide |
| Molecular Weight: | 295.38 |
| Molecular Formula: | C12 H13 N3 O2 S2 |
| Smiles: | CCC(Nc1ccc2c(c1)sc(n2)SCC(N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8565 |
| logD: | 1.8565 |
| logSw: | -2.7714 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 65.857 |
| InChI Key: | FUUNQEYWQADTOG-UHFFFAOYSA-N |