3-benzyl-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
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Basic information
- CAS
354551-66-9- Standard SMILES
O=C(CSc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCCC1)Cc1ccccc1-2)c1ccc(Cl)cc1- InChIKey
BZRSDKBEONOSMC-UHFFFAOYSA-N- Molecular formula
- C32H29ClN2O2S
- Average molar mass
- 541.1 g/mol
- Monoisotopic mass
- 540.163827
Names & identifiers
- Preferred name
- 3-benzyl-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
- IUPAC
- 3-benzyl-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
- English name
- 3-benzyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclohexane)-4(3H)-one
- Molecular formula
- C32H29ClN2O2S
- Molecular weight
- 541.1
Names & synonyms
354551-66-93-benzyl-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-oneAL-281/36997041STK525837AKOS0054593923-benzyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclohexane)-4(3H)-one3-benzyl-2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one3-benzyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-oneSpiro[benzo[h]quinazoline-5(3H),1'-cyclohexan]-4(6H)-one, 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-3-(phenylmethyl)-
Database identifiers
- CAS
354551-66-9- PubChem CID
- 1772263
Properties
Computed structural propertiesFilling in
- XLogP
- 8.2
- Topological polar surface area
- 75 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 957
Related reactions
0 records
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Compound notes
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