Chemical ID: 6828762

Cc1ccc(cc1)CN(Cc2ccc[nH+]c2)C(=S)Nc3ccc(cc3)Oc4ccccc4
Chemical ID:
6828762
Name [?]:
3-(4-phenoxyphenyl)-1-(p-tolylmethyl)-1-(1H-pyridin-5-ylmethyl)thiourea
SMILES [?]:
Cc1ccc(cc1)CN(Cc2ccc[nH+]c2)C(=S)Nc3ccc(cc3)Oc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H26N3OS+
All Atoms:58
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:-19.4583
Area:672.475
Solvation:-36.2702
Coulombic:-20.4682
Bond Count [?]
All:35
Single:22
Double:13
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:440.581
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.34
LogP (Chemaxon):6.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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