1-(1,3-benzothiazol-2-yl)-4-(4-ethylphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one

Chemical Structure Depiction of
1-(1,3-benzothiazol-2-yl)-4-(4-ethylphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Available: 144 mg
Amount:
mg
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Compound characteristics

Compound ID: D302-0004
Compound Name: 1-(1,3-benzothiazol-2-yl)-4-(4-ethylphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Molecular Weight: 420.55
Molecular Formula: C22 H20 N4 O S2
Smiles: CCc1ccc(cc1)C1c2c(C)nn(c2NC(CS1)=O)c1nc2ccccc2s1
Stereo: RACEMIC MIXTURE
logP: 5.5074
logD: 5.5035
logSw: -5.4396
Hydrogen bond acceptors count: 5
Hydrogen bond donors count: 1
Polar surface area: 48.958
InChI Key: GCJPFJCCOHUXGD-HXUWFJFHSA-N
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