3-[(prop-2-en-1-yl)sulfanyl]-6-(3,8,8-trimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Chemical Structure Depiction of
3-[(prop-2-en-1-yl)sulfanyl]-6-(3,8,8-trimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Available: 3 mg
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mg
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Compound characteristics

Compound ID: 4896-3665
Compound Name: 3-[(prop-2-en-1-yl)sulfanyl]-6-(3,8,8-trimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Molecular Weight: 448.63
Molecular Formula: C26 H32 N4 O S
Smiles: CC1CC2=CCCC(C)(C)C2CC1C1Nc2ccccc2c2c(nc(nn2)SCC=C)O1
Stereo: MIXTURE OF STEREOISOMERS
logP: 6.2944
logD: 6.2944
logSw: -5.6891
Hydrogen bond acceptors count: 5
Hydrogen bond donors count: 1
Polar surface area: 52.41
InChI Key: FFPWFNSTHNZZLR-UHFFFAOYSA-N
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