ethyl 4-[(6-tert-butyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(6-tert-butyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)amino]benzoate
ethyl 4-[(6-tert-butyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)amino]benzoate
Compound characteristics
| Compound ID: | C102-0208 |
| Compound Name: | ethyl 4-[(6-tert-butyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)amino]benzoate |
| Molecular Weight: | 316.36 |
| Molecular Formula: | C16 H20 N4 O3 |
| Smiles: | CCOC(c1ccc(cc1)NC1NC(C(C(C)(C)C)=NN=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7753 |
| logD: | 3.7696 |
| logSw: | -3.9812 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.878 |
| InChI Key: | BIXBMLJSGFZZQP-UHFFFAOYSA-N |