N-(9-{[4-(tert-butyl)phenyl]sulfonyl}-1,4,9-triazaspiro[5.5]undec-4-en-5-yl)-N-(4-methoxybenzyl)amine
AlkaPlorer ID: AK341866
Synonym: None
IUPAC Name: 9-(4-tert-butylphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
Structure
SMILES: COC1=CC=C(CNC2=NCCNC23CCN(S(=O)(=O)C2=CC=C(C(C)(C)C)C=C2)CC3)C=C1
InChI: InChI=1S/C26H36N4O3S/c1-25(2,3)21-7-11-23(12-8-21)34(31,32)30-17-13-26(14-18-30)24(27-15-16-29-26)28-19-20-5-9-22(33-4)10-6-20/h5-12,29H,13-19H2,1-4H3,(H,27,28)
InChIKey: BFKNHYVEPMORFC-UHFFFAOYSA-N
Reference
PubChem CID: 53120422
Source
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Properties Information
Molecule Weight: 484.6660000000003
TPSA？: 83.03
MolLogP？: 3.307500000000001
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 4
Activities Information
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