Chemical ID: 4490046

Cc1ccc(cc1)C(=O)NCc2nnc(n2C)SCC(=O)Nc3ccc(cc3)C(C)C
Chemical ID:
4490046
Name [?]:
N-[[5-[(4-isopropylphenyl)carbamoylmethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)NCc2nnc(n2C)SCC(=O)Nc3ccc(cc3)C(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H27N5O2S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:14.018
Area:716.628
Solvation:-3.89768
Coulombic:-55.3306
Bond Count [?]
All:33
Single:23
Double:10
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:437.559
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:5.54
LogP (Chemaxon):3.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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