Chemical ID: 6213373

CC(C)(C)c1ccc(cc1)c2nnc(n2Cc3ccccc3)SCC(=O)O
Chemical ID:
6213373
Name [?]:
2-[[4-benzyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
SMILES [?]:
CC(C)(C)c1ccc(cc1)c2nnc(n2Cc3ccccc3)SCC(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H23N3O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.1173
Area:596.642
Solvation:-2.79873
Coulombic:-42.0695
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:381.492
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.7
LogP (Chemaxon):5.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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