N-[(2RS)-3-methyl-1-oxo-1-{[(pyridin-2-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-2-yl)methyl]amino}pentan-2-yl]-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
N-[(2RS)-3-methyl-1-oxo-1-{[(pyridin-2-yl)methyl]amino}pentan-2-yl]-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
Compound characteristics
| Compound ID: | Y042-9943 |
| Compound Name: | N-[(2RS)-3-methyl-1-oxo-1-{[(pyridin-2-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(NCc1ccccn1)=O)NC(c1ccc2c(c1)sc(n2)n1cccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.237 |
| logD: | 4.2366 |
| logSw: | -4.209 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.753 |
| InChI Key: | QXRIMOQDJPEFPI-KKSFZXQISA-N |