ethyl 2-[(4-ethyl-5-{[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate
Chemical Structure Depiction of
ethyl 2-[(4-ethyl-5-{[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate
ethyl 2-[(4-ethyl-5-{[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate
Compound characteristics
| Compound ID: | C663-0417 |
| Compound Name: | ethyl 2-[(4-ethyl-5-{[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate |
| Molecular Weight: | 420.57 |
| Molecular Formula: | C21 H32 N4 O3 S |
| Smiles: | CCn1c(CNC(C23CC4CC(CC(C4)C3)C2)=O)nnc1SC(C)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0714 |
| logD: | 4.0714 |
| logSw: | -3.915 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.685 |
| InChI Key: | ZMJRHQVMJUVRRR-JHMRYYBSSA-N |