Chemical ID: 3843018

Cc1cccc(c1)OCc2nnc(n2c3ccccc3)SC(C)C(=O)Nc4ccc(cc4)C(=O)C
Chemical ID:
3843018
Name [?]:
N-(4-acetylphenyl)-2-[[5-[(3-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
SMILES [?]:
Cc1cccc(c1)OCc2nnc(n2c3ccccc3)SC(C)C(=O)Nc4ccc(cc4)C(=O)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H26N4O3S
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:13.3997
Area:753.05
Solvation:-5.42658
Coulombic:-49.3781
Bond Count [?]
All:38
Single:25
Double:13
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:486.586
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.35
LogP (Chemaxon):4.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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