N-(4-chlorobenzyl)-N-{9-[(4-methylphenyl)sulfonyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-yl}amine
AlkaPlorer ID: AK357947
Synonym: None
IUPAC Name: N-[(4-chlorophenyl)methyl]-9-(4-methylphenyl)sulfonyl-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
Structure
SMILES: CC1=CC=C(S(=O)(=O)N2CCC3(CC2)NCCN=C3NCC2=CC=C(Cl)C=C2)C=C1
InChI: InChI=1S/C22H27ClN4O2S/c1-17-2-8-20(9-3-17)30(28,29)27-14-10-22(11-15-27)21(24-12-13-26-22)25-16-18-4-6-19(23)7-5-18/h2-9,26H,10-16H2,1H3,(H,24,25)
InChIKey: CQLHTNMCWOTYMN-UHFFFAOYSA-N
Reference
PubChem CID: 53120374
Source
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Properties Information
Molecule Weight: 447.004
TPSA？: 73.8
MolLogP？: 2.963220000000001
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
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