Chemical ID: 3845844

CCn1c(nnc1SC(C)C(=O)Nc2c(cccc2C)C)c3ccccc3
Chemical ID:
3845844
Name [?]:
N-(2,6-dimethylphenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILES [?]:
CCn1c(nnc1SC(C)C(=O)Nc2c(cccc2C)C)c3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H24N4OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:12.1898
Area:596.499
Solvation:-2.72265
Coulombic:-35.2372
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:380.508
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.7
LogP (Chemaxon):3.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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