N-(4-fluoro-2-methylphenyl)-1-(propan-2-yl)-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-(4-fluoro-2-methylphenyl)-1-(propan-2-yl)-1H-benzotriazole-5-carboxamide
N-(4-fluoro-2-methylphenyl)-1-(propan-2-yl)-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | F058-0967 |
| Compound Name: | N-(4-fluoro-2-methylphenyl)-1-(propan-2-yl)-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 312.34 |
| Molecular Formula: | C17 H17 F N4 O |
| Smiles: | CC(C)n1c2ccc(cc2nn1)C(Nc1ccc(cc1C)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1596 |
| logD: | 3.1509 |
| logSw: | -3.1672 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.798 |
| InChI Key: | QIOKLHQVEBDPBL-UHFFFAOYSA-N |