Chemical ID: 4774890

c1cc(ccc1C(=NOC(=O)c2ccc(cc2Cl)Cl)Cn3nc(nn3)N4CCOCC4)Cl
Chemical ID:
4774890
Name [?]:
[1-(4-chlorophenyl)-2-(5-morpholinotetrazol-2-yl)-ethylidene]amino 2,4-dichlorobenzoate
SMILES [?]:
c1cc(ccc1C(=NOC(=O)c2ccc(cc2Cl)Cl)Cn3nc(nn3)N4CCOCC4)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H17Cl3N6O3
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:13.1644
Area:706.069
Solvation:-4.48735
Coulombic:-40.0548
Bond Count [?]
All:35
Single:25
Double:10
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:495.746
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.86
LogP (Chemaxon):4.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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