N-{1-[(1,2,3-benzotriazin-4-yl)oxy]butan-2-yl}isoquinoline-1-carboxamide
Chemical Structure Depiction of
N-{1-[(1,2,3-benzotriazin-4-yl)oxy]butan-2-yl}isoquinoline-1-carboxamide
N-{1-[(1,2,3-benzotriazin-4-yl)oxy]butan-2-yl}isoquinoline-1-carboxamide
Compound characteristics
| Compound ID: | D216-0535 |
| Compound Name: | N-{1-[(1,2,3-benzotriazin-4-yl)oxy]butan-2-yl}isoquinoline-1-carboxamide |
| Molecular Weight: | 373.41 |
| Molecular Formula: | C21 H19 N5 O2 |
| Smiles: | CCC(COc1c2ccccc2nnn1)NC(c1c2ccccc2ccn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2675 |
| logD: | 3.2675 |
| logSw: | -3.2006 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.963 |
| InChI Key: | MLMSZCBGOFZXNN-HNNXBMFYSA-N |