2-methylbut-3-yn-2-yl 6-(1H-benzotriazole-1-carbonyl)-3-methylcyclohex-3-ene-1-carboxylate
Chemical Structure Depiction of
2-methylbut-3-yn-2-yl 6-(1H-benzotriazole-1-carbonyl)-3-methylcyclohex-3-ene-1-carboxylate
2-methylbut-3-yn-2-yl 6-(1H-benzotriazole-1-carbonyl)-3-methylcyclohex-3-ene-1-carboxylate
Compound characteristics
| Compound ID: | 8010-2983 |
| Compound Name: | 2-methylbut-3-yn-2-yl 6-(1H-benzotriazole-1-carbonyl)-3-methylcyclohex-3-ene-1-carboxylate |
| Molecular Weight: | 351.4 |
| Molecular Formula: | C20 H21 N3 O3 |
| Smiles: | CC1CC(C(CC=1)C(n1c2ccccc2nn1)=O)C(=O)OC(C)(C)C#C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1498 |
| logD: | 3.1498 |
| logSw: | -3.316 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.935 |
| InChI Key: | QQAHOTGQLOWOKM-UHFFFAOYSA-N |