N-(3-fluorobenzyl)-N-{9-[(4-isopropylphenyl)sulfonyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-yl}amine
AlkaPlorer ID: AK369168
Synonym: None
IUPAC Name: N-[(3-fluorophenyl)methyl]-9-(4-propan-2-ylphenyl)sulfonyl-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
Structure
SMILES: CC(C)C1=CC=C(S(=O)(=O)N2CCC3(CC2)NCCN=C3NCC2=CC=CC(F)=C2)C=C1
InChI: InChI=1S/C24H31FN4O2S/c1-18(2)20-6-8-22(9-7-20)32(30,31)29-14-10-24(11-15-29)23(26-12-13-28-24)27-17-19-4-3-5-21(25)16-19/h3-9,16,18,28H,10-15,17H2,1-2H3,(H,26,27)
InChIKey: DQNKHMOSZXFPNO-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 458.6030000000001
TPSA？: 73.8
MolLogP？: 3.2639000000000022
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
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