10-bromo-3-(butylsulfanyl)-6-(thiophen-3-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
10-bromo-3-(butylsulfanyl)-6-(thiophen-3-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
10-bromo-3-(butylsulfanyl)-6-(thiophen-3-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-3893 |
| Compound Name: | 10-bromo-3-(butylsulfanyl)-6-(thiophen-3-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 449.39 |
| Molecular Formula: | C18 H17 Br N4 O S2 |
| Smiles: | CCCCSc1nc2c(c3cc(ccc3NC(c3ccsc3)O2)[Br])nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6637 |
| logD: | 5.6637 |
| logSw: | -5.466 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.316 |
| InChI Key: | NZUCDVBPUBRGHY-MRXNPFEDSA-N |