Chemical ID: 3849612

Cc1cccc(c1NC(=O)C(C)Sc2nnc(n2CCc3ccccc3)C)C
Chemical ID:
3849612
Name [?]:
N-(2,6-dimethylphenyl)-2-[(5-methyl-4-phenethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILES [?]:
Cc1cccc(c1NC(=O)C(C)Sc2nnc(n2CCc3ccccc3)C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H26N4OS
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:12.7191
Area:631.913
Solvation:-3.07876
Coulombic:-33.8417
Bond Count [?]
All:30
Single:21
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:394.534
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.43
LogP (Chemaxon):3.49

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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