N-[9-(mesitylsulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-yl]-N-(4-methylbenzyl)amine
AlkaPlorer ID: AK367280
Synonym: None
IUPAC Name: N-[(4-methylphenyl)methyl]-9-(2,4,6-trimethylphenyl)sulfonyl-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
Structure
SMILES: CC1=CC=C(CNC2=NCCNC23CCN(S(=O)(=O)C2=C(C)C=C(C)C=C2C)CC3)C=C1
InChI: InChI=1S/C25H34N4O2S/c1-18-5-7-22(8-6-18)17-27-24-25(28-12-11-26-24)9-13-29(14-10-25)32(30,31)23-20(3)15-19(2)16-21(23)4/h5-8,15-16,28H,9-14,17H2,1-4H3,(H,26,27)
InChIKey: DMHHZDUMVVASIG-UHFFFAOYSA-N
Reference
PubChem CID: 53120357
Source
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Properties Information
Molecule Weight: 454.6400000000003
TPSA？: 73.80000000000001
MolLogP？: 3.235080000000001
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
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