6-[4-(benzyloxy)-3-chloro-5-methoxyphenyl]-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-[4-(benzyloxy)-3-chloro-5-methoxyphenyl]-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-[4-(benzyloxy)-3-chloro-5-methoxyphenyl]-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | Y500-5337 |
| Compound Name: | 6-[4-(benzyloxy)-3-chloro-5-methoxyphenyl]-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 549.09 |
| Molecular Formula: | C29 H29 Cl N4 O3 S |
| Smiles: | CCCCCSc1nc2c(c3ccccc3NC(c3cc(c(c(c3)[Cl])OCc3ccccc3)OC)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.8749 |
| logD: | 7.8749 |
| logSw: | -6.5827 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.329 |
| InChI Key: | ZDEZZLOHQMEADV-MHZLTWQESA-N |