N-[(2S)-1-oxo-1-(thiomorpholin-4-yl)propan-2-yl]-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
Chemical Structure Depiction of
N-[(2S)-1-oxo-1-(thiomorpholin-4-yl)propan-2-yl]-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
N-[(2S)-1-oxo-1-(thiomorpholin-4-yl)propan-2-yl]-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
Compound characteristics
| Compound ID: | Y042-9938 |
| Compound Name: | N-[(2S)-1-oxo-1-(thiomorpholin-4-yl)propan-2-yl]-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide |
| Molecular Weight: | 400.52 |
| Molecular Formula: | C19 H20 N4 O2 S2 |
| Smiles: | C[C@@H](C(N1CCSCC1)=O)NC(c1ccc2c(c1)sc(n2)n1cccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.7066 |
| logD: | 2.7066 |
| logSw: | -3.2473 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.256 |
| InChI Key: | LGBNOEOSPQIBGF-ZDUSSCGKSA-N |