Chemical ID: 3850284

Cc1cccc(c1)c2nnc(n2Cc3ccccc3)SCC(=O)OC(C)C
Chemical ID:
3850284
Name [?]:
isopropyl 2-[[4-benzyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
SMILES [?]:
Cc1cccc(c1)c2nnc(n2Cc3ccccc3)SCC(=O)OC(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H23N3O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.5755
Area:610.809
Solvation:-2.69475
Coulombic:-33.9847
Bond Count [?]
All:29
Single:20
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:381.492
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.53
LogP (Chemaxon):4.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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