1-{6-[4-(diethylamino)-2-methoxyphenyl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{6-[4-(diethylamino)-2-methoxyphenyl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one
1-{6-[4-(diethylamino)-2-methoxyphenyl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | Y010-1603 |
| Compound Name: | 1-{6-[4-(diethylamino)-2-methoxyphenyl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one |
| Molecular Weight: | 465.57 |
| Molecular Formula: | C24 H27 N5 O3 S |
| Smiles: | CCN(CC)c1ccc(C2N(C(C)=O)c3ccccc3c3c(nc(nn3)SC)O2)c(c1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1138 |
| logD: | 3.8998 |
| logSw: | -4.3625 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.006 |
| InChI Key: | BNDRURAPUJDDNM-QHCPKHFHSA-N |