2-{7-acetyl-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}-6-methylphenyl acetate
Chemical Structure Depiction of
2-{7-acetyl-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}-6-methylphenyl acetate
2-{7-acetyl-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}-6-methylphenyl acetate
Compound characteristics
| Compound ID: | 4896-4693 |
| Compound Name: | 2-{7-acetyl-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}-6-methylphenyl acetate |
| Molecular Weight: | 462.53 |
| Molecular Formula: | C24 H22 N4 O4 S |
| Smiles: | CC(N1C(c2cccc(C)c2OC(C)=O)Oc2c(c3ccccc13)nnc(n2)SCC=C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9255 |
| logD: | 3.9255 |
| logSw: | -4.1745 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.563 |
| InChI Key: | RDPAPLHHWVHABO-QHCPKHFHSA-N |