Chemical ID: 4488724

Cc1ccc(cc1)C(=O)NCCc2nnc(n2C)SCC(=O)Nc3ccccc3OC
Chemical ID:
4488724
Name [?]:
N-[2-[5-[(2-methoxyphenyl)carbamoylmethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)NCCc2nnc(n2C)SCC(=O)Nc3ccccc3OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H25N5O3S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.6026
Area:710.545
Solvation:-5.16102
Coulombic:-61.5509
Bond Count [?]
All:33
Single:23
Double:10
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:439.532
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.21
LogP (Chemaxon):2.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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