Chemical ID: 5419626

CC(c1nnc(n1CC=C)SCC(=O)c2ccc(cc2)OC)NC(=O)c3ccccc3
Chemical ID:
5419626
Name [?]:
N-[1-[4-allyl-5-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide
SMILES [?]:
CC(c1nnc(n1CC=C)SCC(=O)c2ccc(cc2)OC)NC(=O)c3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H24N4O3S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:12.6256
Area:698.283
Solvation:-4.8315
Coulombic:-52.3319
Bond Count [?]
All:33
Single:22
Double:11
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:436.528
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.34
LogP (Chemaxon):2.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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