6-[4-(benzyloxy)-3-chloro-5-ethoxyphenyl]-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-ethoxyphenyl]-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-[4-(benzyloxy)-3-chloro-5-ethoxyphenyl]-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | Y500-5351 |
| Compound Name: | 6-[4-(benzyloxy)-3-chloro-5-ethoxyphenyl]-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 563.12 |
| Molecular Formula: | C30 H31 Cl N4 O3 S |
| Smiles: | CCCCCSc1nc2c(c3ccccc3NC(c3cc(c(c(c3)[Cl])OCc3ccccc3)OCC)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.1499 |
| logD: | 8.1499 |
| logSw: | -6.5689 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.909 |
| InChI Key: | IEJHOLDCDVVHHA-NDEPHWFRSA-N |