Chemical ID: 6407038

c1ccc(cc1)CN(Cc2ccc3c(c2)OCO3)C(=S)Nc4ccccc4
Chemical ID:
6407038
Name [?]:
1-(benzo[1,3]dioxol-5-ylmethyl)-1-benzyl-3-phenyl-thiourea
SMILES [?]:
c1ccc(cc1)CN(Cc2ccc3c(c2)OCO3)C(=S)Nc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H20N2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.0041
Area:576.458
Solvation:-3.4073
Coulombic:-39.1733
Bond Count [?]
All:30
Single:20
Double:10
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:376.472
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.43
LogP (Chemaxon):5.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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