Chemical ID: 5132586

CCn1c(nnc1SCC(=O)Nc2cc(ccc2C)[N+](=O)[O-])COc3ccc(cc3)OC
Chemical ID:
5132586
Name [?]:
2-[[4-ethyl-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitro-phenyl)-acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2cc(ccc2C)[N+](=O)[O-])COc3ccc(cc3)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H23N5O5S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:7.12038
Area:708.229
Solvation:-10.5853
Coulombic:-58.2627
Bond Count [?]
All:34
Single:24
Double:10
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:457.504
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.55
LogP (Chemaxon):2.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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