N-{9-[(4-isopropylphenyl)sulfonyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-yl}-N-(4-methylbenzyl)amine

AlkaPlorer ID: AK342170

Synonym: None

IUPAC Name: N-[(4-methylphenyl)methyl]-9-(4-propan-2-ylphenyl)sulfonyl-1,4,9-triazaspiro[5.5]undec-4-en-5-amine

Structure

SMILES: CC1=CC=C(CNC2=NCCNC23CCN(S(=O)(=O)C2=CC=C(C(C)C)C=C2)CC3)C=C1

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InChI: InChI=1S/C25H34N4O2S/c1-19(2)22-8-10-23(11-9-22)32(30,31)29-16-12-25(13-17-29)24(26-14-15-28-25)27-18-21-6-4-20(3)5-7-21/h4-11,19,28H,12-18H2,1-3H3,(H,26,27)

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InChIKey: BGECZGNMYWJJTN-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 454.6400000000002

TPSA: 73.80000000000001

MolLogP: 3.433220000000002

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