1-{6-[4-(dimethylamino)phenyl]-3-[(prop-2-en-1-yl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{6-[4-(dimethylamino)phenyl]-3-[(prop-2-en-1-yl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one
1-{6-[4-(dimethylamino)phenyl]-3-[(prop-2-en-1-yl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | 4896-4140 |
| Compound Name: | 1-{6-[4-(dimethylamino)phenyl]-3-[(prop-2-en-1-yl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one |
| Molecular Weight: | 433.53 |
| Molecular Formula: | C23 H23 N5 O2 S |
| Smiles: | CC(N1C(c2ccc(cc2)N(C)C)Oc2c(c3ccccc13)nnc(n2)SCC=C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9359 |
| logD: | 3.9273 |
| logSw: | -4.093 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.444 |
| InChI Key: | KJPHXILFCUUVRL-QFIPXVFZSA-N |