Chemical ID: 3847465

CCOC(=O)c1cccc(c1)NC(=O)CSc2nnc(n2Cc3ccccc3)C
Chemical ID:
3847465
Name [?]:
ethyl 3-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]aminobenzoate
SMILES [?]:
CCOC(=O)c1cccc(c1)NC(=O)CSc2nnc(n2Cc3ccccc3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H22N4O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.2979
Area:656.299
Solvation:-4.10955
Coulombic:-52.2718
Bond Count [?]
All:31
Single:21
Double:10
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:410.491
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.88
LogP (Chemaxon):2.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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