Chemical ID: 3854378

COC(=O)CSc1nnc(n1Cc2ccccc2)COc3ccccc3
Chemical ID:
3854378
Name [?]:
methyl 2-[[4-benzyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
SMILES [?]:
COC(=O)CSc1nnc(n1Cc2ccccc2)COc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H19N3O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.1259
Area:581.319
Solvation:-4.40706
Coulombic:-40.0716
Bond Count [?]
All:28
Single:19
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:369.439
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.89
LogP (Chemaxon):3.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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