Chemical ID: 3965820

c1cc(ccc1CCNC(=S)N2CCCc3cc(c(cc3C2)O)O)Cl
Chemical ID:
3965820
Name [?]:
N-[2-(4-chlorophenyl)ethyl]-9,10-dihydroxy-5-azabicyclo[5.4.0]undeca-8,10,12-triene-5-carbothioamide
SMILES [?]:
c1cc(ccc1CCNC(=S)N2CCCc3cc(c(cc3C2)O)O)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H21ClN2O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.0511
Area:588.349
Solvation:-3.65763
Coulombic:-53.7372
Bond Count [?]
All:27
Single:20
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:376.901
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:4.71
LogP (Chemaxon):4.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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