10-bromo-6-methyl-3-(pentylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
10-bromo-6-methyl-3-(pentylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine
10-bromo-6-methyl-3-(pentylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 7809-0322 |
| Compound Name: | 10-bromo-6-methyl-3-(pentylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 393.3 |
| Molecular Formula: | C16 H17 Br N4 O S |
| Smiles: | CCCCCSc1nc2c(c3cc(ccc3N=C(C)O2)[Br])nn1 |
| Stereo: | ACHIRAL |
| logP: | 5.0838 |
| logD: | 5.0838 |
| logSw: | -4.981 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.102 |
| InChI Key: | QDEUEUVCSMAISE-UHFFFAOYSA-N |