rel-(5R,6S)-6-(3-nitro-1H-1,2,4-triazol-1-yl)-3,5-di(thiophen-2-yl)cyclohex-2-en-1-one
Chemical Structure Depiction of
rel-(5R,6S)-6-(3-nitro-1H-1,2,4-triazol-1-yl)-3,5-di(thiophen-2-yl)cyclohex-2-en-1-one
rel-(5R,6S)-6-(3-nitro-1H-1,2,4-triazol-1-yl)-3,5-di(thiophen-2-yl)cyclohex-2-en-1-one
Compound characteristics
| Compound ID: | 8006-4145 |
| Compound Name: | rel-(5R,6S)-6-(3-nitro-1H-1,2,4-triazol-1-yl)-3,5-di(thiophen-2-yl)cyclohex-2-en-1-one |
| Molecular Weight: | 372.42 |
| Molecular Formula: | C16 H12 N4 O3 S2 |
| Smiles: | C1C(=CC([C@@H]([C@H]1c1cccs1)n1cnc(n1)[N+]([O-])=O)=O)c1cccs1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8039 |
| logD: | 2.8039 |
| logSw: | -3.1732 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.992 |
| InChI Key: | WEUDMPKDCOMRRO-IAQYHMDHSA-N |