Chemical ID: 5891398

CCCCC(=O)NC(C)c1nnc(n1c2ccc(cc2)C)SCc3ccccc3C
Chemical ID:
5891398
Name [?]:
N-[1-[5-(o-tolylmethylsulfanyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]ethyl]pentanamide
SMILES [?]:
CCCCC(=O)NC(C)c1nnc(n1c2ccc(cc2)C)SCc3ccccc3C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H30N4OS
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:14.9592
Area:696.688
Solvation:-2.458
Coulombic:-36.0529
Bond Count [?]
All:32
Single:23
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:422.587
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:7.32
LogP (Chemaxon):5.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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