6,6-dimethyl-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6,6-dimethyl-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6,6-dimethyl-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 5511-0471 |
| Compound Name: | 6,6-dimethyl-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 300.38 |
| Molecular Formula: | C15 H16 N4 O S |
| Smiles: | CC1(C)Nc2ccccc2c2c(nc(nn2)SCC=C)O1 |
| Stereo: | ACHIRAL |
| logP: | 3.5198 |
| logD: | 3.5198 |
| logSw: | -3.8514 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.203 |
| InChI Key: | IEJRPJIGUXVBRZ-UHFFFAOYSA-N |