3-(4-methylphenyl)-2-[(prop-2-yn-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one

Chemical Structure Depiction of
3-(4-methylphenyl)-2-[(prop-2-yn-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Available: 71 mg
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mg
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Compound characteristics

Compound ID: 4184-0034
Compound Name: 3-(4-methylphenyl)-2-[(prop-2-yn-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Molecular Weight: 426.58
Molecular Formula: C27 H26 N2 O S
Smiles: Cc1ccc(cc1)N1C(=NC2=C(C1=O)C1(CCCCC1)Cc1ccccc12)SCC#C
Stereo: ACHIRAL
logP: 5.9918
logD: 5.9253
logSw: -5.3513
Hydrogen bond acceptors count: 4
Polar surface area: 25.2092
InChI Key: CBMWTJIYKQXKJH-UHFFFAOYSA-N
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