Chemical ID: 6175055

COc1ccc(cc1)CN(Cc2c(cccc2Cl)Cl)C(=S)Nc3ccc(cc3)Br
Chemical ID:
6175055
Name [?]:
3-(4-bromophenyl)-1-[(2,6-dichlorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]thiourea
SMILES [?]:
COc1ccc(cc1)CN(Cc2c(cccc2Cl)Cl)C(=S)Nc3ccc(cc3)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H19BrCl2N2OS
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.7717
Area:613.887
Solvation:-2.5755
Coulombic:-31.1268
Bond Count [?]
All:31
Single:21
Double:10
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:510.275
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:7.63
LogP (Chemaxon):7.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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