3'-(ethylsulfanyl)-7'H-spiro[cyclopentane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]

Chemical Structure Depiction of
3'-(ethylsulfanyl)-7'H-spiro[cyclopentane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]
Available: 1 mg
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mg
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Compound characteristics

Compound ID: 6753-0722
Compound Name: 3'-(ethylsulfanyl)-7'H-spiro[cyclopentane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]
Molecular Weight: 314.41
Molecular Formula: C16 H18 N4 O S
Smiles: CCSc1nc2c(c3ccccc3NC3(CCCC3)O2)nn1
Stereo: ACHIRAL
logP: 3.4791
logD: 3.4791
logSw: -3.8391
Hydrogen bond acceptors count: 5
Hydrogen bond donors count: 1
Polar surface area: 51.77
InChI Key: ZVYHASNVVOEEEY-UHFFFAOYSA-N
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