3-(4-bromoanilino)-6-tert-butyl-1,2,4-triazin-5(4H)-one
Chemical Structure Depiction of
3-(4-bromoanilino)-6-tert-butyl-1,2,4-triazin-5(4H)-one
3-(4-bromoanilino)-6-tert-butyl-1,2,4-triazin-5(4H)-one
Compound characteristics
| Compound ID: | C102-0231 |
| Compound Name: | 3-(4-bromoanilino)-6-tert-butyl-1,2,4-triazin-5(4H)-one |
| Molecular Weight: | 323.19 |
| Molecular Formula: | C13 H15 Br N4 O |
| Smiles: | CC(C)(C)C1C(NC(Nc2ccc(cc2)[Br])=NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0078 |
| logD: | 4.0005 |
| logSw: | -4.1293 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.124 |
| InChI Key: | SKEQRMBPNKZLLB-UHFFFAOYSA-N |