1-{6-[4-(cyclopentyloxy)phenyl]-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{6-[4-(cyclopentyloxy)phenyl]-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one
1-{6-[4-(cyclopentyloxy)phenyl]-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | 6753-0908 |
| Compound Name: | 1-{6-[4-(cyclopentyloxy)phenyl]-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C25 H26 N4 O3 S |
| Smiles: | CCSc1nc2c(c3ccccc3N(C(c3ccc(cc3)OC3CCCC3)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6273 |
| logD: | 4.6273 |
| logSw: | -4.513 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.459 |
| InChI Key: | DRFIYBAODSPBGD-DEOSSOPVSA-N |