Chemical ID: 5544994

Cc1cccc(c1OCc2nnc(n2C)SCC(=O)N3CCN(CC3)c4ccccc4)C
Chemical ID:
5544994
Name [?]:
2-[[5-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)-ethanone
SMILES [?]:
Cc1cccc(c1OCc2nnc(n2C)SCC(=O)N3CCN(CC3)c4ccccc4)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H29N5O2S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:12.4367
Area:692.258
Solvation:-4.86975
Coulombic:-43.2351
Bond Count [?]
All:35
Single:26
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:451.586
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.05
LogP (Chemaxon):3.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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