Chemical ID: 5978468

Cc1ccc(cc1)n2c(nnc2SCc3ccccc3)C(Cc4ccccc4)NC(=O)Nc5ccccc5
Chemical ID:
5978468
Name [?]:
1-[1-[5-benzylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-3-phenyl-urea
SMILES [?]:
Cc1ccc(cc1)n2c(nnc2SCc3ccccc3)C(Cc4ccccc4)NC(=O)Nc5ccccc5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C31H29N5OS
All Atoms:38
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:16.1347
Area:770.477
Solvation:-3.12724
Coulombic:-51.9249
Bond Count [?]
All:42
Single:27
Double:15
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:519.661
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:8.14
LogP (Chemaxon):7.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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