Chemical ID: 5925041

CC(C)(C)NC(=O)CCCSc1nnc(n1c2ccc(cc2)OC)c3ccccc3
Chemical ID:
5925041
Name [?]:
4-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-butanamide
SMILES [?]:
CC(C)(C)NC(=O)CCCSc1nnc(n1c2ccc(cc2)OC)c3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H28N4O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:13.0248
Area:674.576
Solvation:-3.8396
Coulombic:-42.0024
Bond Count [?]
All:32
Single:23
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:424.56
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.46
LogP (Chemaxon):3.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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