3'-{[(2-chlorophenyl)methyl]sulfanyl}-7'H-spiro[cyclohexane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]

Chemical Structure Depiction of
3'-{[(2-chlorophenyl)methyl]sulfanyl}-7'H-spiro[cyclohexane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]
Available: 197 mg
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mg
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Compound characteristics

Compound ID: 4896-3978
Compound Name: 3'-{[(2-chlorophenyl)methyl]sulfanyl}-7'H-spiro[cyclohexane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]
Molecular Weight: 424.95
Molecular Formula: C22 H21 Cl N4 O S
Smiles: C1CCC2(CC1)Nc1ccccc1c1c(nc(nn1)SCc1ccccc1[Cl])O2
Stereo: ACHIRAL
logP: 5.7233
logD: 5.7233
logSw: -6.0078
Hydrogen bond acceptors count: 5
Hydrogen bond donors count: 1
Polar surface area: 51.132
InChI Key: XPOJGKOMAXHZHH-UHFFFAOYSA-N
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