N,N-diethyl-4-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-3-methoxyaniline
Chemical Structure Depiction of
N,N-diethyl-4-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-3-methoxyaniline
N,N-diethyl-4-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-3-methoxyaniline
Compound characteristics
| Compound ID: | 4896-4360 |
| Compound Name: | N,N-diethyl-4-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-3-methoxyaniline |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C23 H27 N5 O2 S |
| Smiles: | CCN(CC)c1ccc(C2Nc3ccccc3c3c(nc(nn3)SCC)O2)c(c1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9565 |
| logD: | 4.7425 |
| logSw: | -4.6678 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.664 |
| InChI Key: | JQYPHNORTUERJZ-NRFANRHFSA-N |