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

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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)

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InChIKey: AUGIXGZRAVEIEE-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

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

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information