rel-(5R,6S)-6-(1H-benzotriazol-1-yl)-3,5-di(thiophen-2-yl)cyclohex-2-en-1-one
Chemical Structure Depiction of
rel-(5R,6S)-6-(1H-benzotriazol-1-yl)-3,5-di(thiophen-2-yl)cyclohex-2-en-1-one
rel-(5R,6S)-6-(1H-benzotriazol-1-yl)-3,5-di(thiophen-2-yl)cyclohex-2-en-1-one
Compound characteristics
| Compound ID: | 8005-5803 |
| Compound Name: | rel-(5R,6S)-6-(1H-benzotriazol-1-yl)-3,5-di(thiophen-2-yl)cyclohex-2-en-1-one |
| Molecular Weight: | 377.49 |
| Molecular Formula: | C20 H15 N3 O S2 |
| Smiles: | C1C(=CC([C@@H]([C@H]1c1cccs1)n1c2ccccc2nn1)=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2122 |
| logD: | 4.2122 |
| logSw: | -4.4548 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 39.306 |
| InChI Key: | SEWNZRWNLRKDFC-JLTOFOAXSA-N |