6-(3-methylthiophen-2-yl)-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-(3-methylthiophen-2-yl)-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(3-methylthiophen-2-yl)-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 5704-0625 |
| Compound Name: | 6-(3-methylthiophen-2-yl)-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 368.48 |
| Molecular Formula: | C18 H16 N4 O S2 |
| Smiles: | Cc1ccsc1C1Nc2ccccc2c2c(nc(nn2)SCC=C)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4514 |
| logD: | 4.4514 |
| logSw: | -4.4002 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.316 |
| InChI Key: | NEAKEDVPHZHHOR-KRWDZBQOSA-N |