Chemical ID: 5544427

Cn1c(nnc1SCC(=O)Nc2ccc(cc2)C(=O)OC)CC(=O)Nc3ccccc3
Chemical ID:
5544427
Name [?]:
methyl 4-[2-[[4-methyl-5-(phenylcarbamoylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]aminobenzoate
SMILES [?]:
Cn1c(nnc1SCC(=O)Nc2ccc(cc2)C(=O)OC)CC(=O)Nc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H21N5O4S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.6373
Area:694.61
Solvation:-5.72792
Coulombic:-69.88
Bond Count [?]
All:33
Single:22
Double:11
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:439.489
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.31
LogP (Chemaxon):2.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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