N-(4-chlorobenzyl)-N-{9-[(2,4-dimethylphenyl)sulfonyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-yl}amine
AlkaPlorer ID: AK337048
Synonym: None
IUPAC Name: N-[(4-chlorophenyl)methyl]-9-(2,4-dimethylphenyl)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(C)=C1
InChI: InChI=1S/C23H29ClN4O2S/c1-17-3-8-21(18(2)15-17)31(29,30)28-13-9-23(10-14-28)22(25-11-12-27-23)26-16-19-4-6-20(24)7-5-19/h3-8,15,27H,9-14,16H2,1-2H3,(H,25,26)
InChIKey: AUGIXGZRAVEIEE-UHFFFAOYSA-N
Reference
PubChem CID: 53120515
Source
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Properties Information
Molecule Weight: 461.03100000000006
TPSA?: 73.8
MolLogP?: 3.2716400000000023
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
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