Chemical ID: 5296262

COC(=O)c1ccc(cc1)NC(=O)CSc2nnc(n2CC=C)c3ccccc3Cl
Chemical ID:
5296262
Name [?]:
methyl 4-[2-[[4-allyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]aminobenzoate
SMILES [?]:
COC(=O)c1ccc(cc1)NC(=O)CSc2nnc(n2CC=C)c3ccccc3Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H19ClN4O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:13.0052
Area:679.436
Solvation:-3.98067
Coulombic:-55.1038
Bond Count [?]
All:32
Single:21
Double:11
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:442.919
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.7
LogP (Chemaxon):4.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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