1-(adamantan-2-yl)-2-[(5-{2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl}-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(adamantan-2-yl)-2-[(5-{2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl}-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(adamantan-2-yl)-2-[(5-{2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl}-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | Y509-5675 |
| Compound Name: | 1-(adamantan-2-yl)-2-[(5-{2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl}-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 439.58 |
| Molecular Formula: | C23 H29 N5 O2 S |
| Smiles: | C\C(c1ccc(cc1)OC)=N/Nc1nnc([nH]1)SCC(C1C2CC3CC(C2)CC1C3)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0024 |
| logD: | 3.975 |
| logSw: | -4.3549 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.128 |
| InChI Key: | CWARRVCKERBTAT-UHFFFAOYSA-N |