N,N-dimethyl-4-[3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]aniline
Chemical Structure Depiction of
N,N-dimethyl-4-[3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]aniline
N,N-dimethyl-4-[3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]aniline
Compound characteristics
| Compound ID: | 4896-2847 |
| Compound Name: | N,N-dimethyl-4-[3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]aniline |
| Molecular Weight: | 421.56 |
| Molecular Formula: | C23 H27 N5 O S |
| Smiles: | CCCCCSc1nc2c(c3ccccc3NC(c3ccc(cc3)N(C)C)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8174 |
| logD: | 5.8088 |
| logSw: | -5.5485 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.102 |
| InChI Key: | LBOBTPMMMSGYAO-NRFANRHFSA-N |