Chemical ID: 5978296

CCOc1ccc(cc1)NC(=O)NC(C)c2nnc(n2c3ccc(cc3)C)SCc4ccccc4
Chemical ID:
5978296
Name [?]:
3-[1-[5-benzylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]ethyl]-1-(4-ethoxyphenyl)-urea
SMILES [?]:
CCOc1ccc(cc1)NC(=O)NC(C)c2nnc(n2c3ccc(cc3)C)SCc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H29N5O2S
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:15.4462
Area:769.602
Solvation:-3.79384
Coulombic:-57.1703
Bond Count [?]
All:38
Single:26
Double:12
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:487.618
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:7.03
LogP (Chemaxon):5.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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