1-(3-chloro-4-methylphenyl)-4-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one

Chemical Structure Depiction of
1-(3-chloro-4-methylphenyl)-4-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Available: 135 mg
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mg
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Compound characteristics

Compound ID: D361-1840
Compound Name: 1-(3-chloro-4-methylphenyl)-4-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Molecular Weight: 467.97
Molecular Formula: C24 H22 Cl N3 O3 S
Smiles: Cc1ccc(cc1[Cl])n1c2c(C(c3ccc(c(c3)OC)OCC#C)SCC(N2)=O)c(C)n1
Stereo: RACEMIC MIXTURE
logP: 4.7071
logD: 4.7065
logSw: -4.9982
Hydrogen bond acceptors count: 6
Hydrogen bond donors count: 1
Polar surface area: 54.557
InChI Key: YURTWZOLBZTOCH-HSZRJFAPSA-N
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