3-{[(3-methylpyridin-2-yl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-{[(3-methylpyridin-2-yl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one
3-{[(3-methylpyridin-2-yl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | 8006-7700 |
| Compound Name: | 3-{[(3-methylpyridin-2-yl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 300.27 |
| Molecular Formula: | C14 H12 N4 O4 |
| Smiles: | Cc1cccnc1NCN1C(=O)Oc2cc(ccc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6604 |
| logD: | 2.6589 |
| logSw: | -2.8967 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.296 |
| InChI Key: | XBHGRPLJBWERBC-UHFFFAOYSA-N |