N-[(2RS)-3-methyl-1-oxo-1-{[(pyridin-3-yl)methyl]amino}pentan-2-yl]-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
Chemical Structure Depiction of
N-[(2RS)-3-methyl-1-oxo-1-{[(pyridin-3-yl)methyl]amino}pentan-2-yl]-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
N-[(2RS)-3-methyl-1-oxo-1-{[(pyridin-3-yl)methyl]amino}pentan-2-yl]-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
Compound characteristics
| Compound ID: | Y042-9944 |
| Compound Name: | N-[(2RS)-3-methyl-1-oxo-1-{[(pyridin-3-yl)methyl]amino}pentan-2-yl]-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide |
| Molecular Weight: | 447.56 |
| Molecular Formula: | C24 H25 N5 O2 S |
| Smiles: | CC[C@H](C)[C@@H](C(NCc1cccnc1)=O)NC(c1ccc2c(c1)sc(n2)n1cccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9191 |
| logD: | 3.9167 |
| logSw: | -3.7314 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.728 |
| InChI Key: | HXWKSCDWFYEPNF-KKSFZXQISA-N |