2-[(2-hydroxyethyl)sulfanyl]-3-propyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
AlkaPlorer ID: AK500187
Synonym: None
IUPAC Name: 2-(2-hydroxyethylsulfanyl)-3-propylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Structure
SMILES: CCCN1C(SCCO)=NC2=C(C1=O)C1(CCCCC1)CC1=CC=CC=C12
InChI: InChI=1S/C22H28N2O2S/c1-2-12-24-20(26)18-19(23-21(24)27-14-13-25)17-9-5-4-8-16(17)15-22(18)10-6-3-7-11-22/h4-5,8-9,25H,2-3,6-7,10-15H2,1H3
InChIKey: QIJPKPVENIAWSB-UHFFFAOYSA-N
Reference
A comprehensive genome‐scale reconstruction of <i>Escherichia coli</i> metabolism—2011
PubChem CID: 1866485
Source
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Properties Information
Molecule Weight: 384.5450000000002
TPSA？: 55.12
MolLogP？: 4.162700000000004
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
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