Chemical ID: 3844033

Cc1ccc(cc1)n2c(nnc2SC(C)C(=O)Nc3ccccc3)COc4ccccc4
Chemical ID:
3844033
Name [?]:
2-[[5-(phenoxymethyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide
SMILES [?]:
Cc1ccc(cc1)n2c(nnc2SC(C)C(=O)Nc3ccccc3)COc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H24N4O2S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:13.0412
Area:695.436
Solvation:-4.34472
Coulombic:-42.9287
Bond Count [?]
All:35
Single:23
Double:12
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:444.55
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.51
LogP (Chemaxon):5.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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