Chemical ID: 4462872

COc1ccc(cc1)c2nnc(n2CC=C)SCC(=O)Nc3ccc(cc3[N+](=O)[O-])OC
Chemical ID:
4462872
Name [?]:
2-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxy-2-nitro-phenyl)-acetamide
SMILES [?]:
COc1ccc(cc1)c2nnc(n2CC=C)SCC(=O)Nc3ccc(cc3[N+](=O)[O-])OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H21N5O5S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:7.69558
Area:685.305
Solvation:-9.43705
Coulombic:-61.0938
Bond Count [?]
All:34
Single:23
Double:11
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:455.488
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.39
LogP (Chemaxon):3.49

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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