Chemical ID: 4464240

CCn1c(nnc1SCC(=O)Nc2ccc(c(c2)C(=O)OC)Cl)Cc3ccc(cc3)OC
Chemical ID:
4464240
Name [?]:
methyl 2-chloro-5-[2-[[4-ethyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino-benzoate
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2ccc(c(c2)C(=O)OC)Cl)Cc3ccc(cc3)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H23ClN4O4S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:12.2052
Area:718.982
Solvation:-5.76938
Coulombic:-58.0328
Bond Count [?]
All:34
Single:24
Double:10
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:474.961
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.24
LogP (Chemaxon):3.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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