Chemical ID: 4641796

CCCNC(=O)c1c(c2n(n1)C(CC(N2)c3ccc(cc3)C)C(F)(F)F)Cl
Chemical ID:
4641796
Name [?]:
9-chloro-N-propyl-3-(p-tolyl)-5-(trifluoromethyl)-2,6,7-triazabicyclo[4.3.0]nona-7,9-diene-8-carboxamide
SMILES [?]:
CCCNC(=O)c1c(c2n(n1)C(CC(N2)c3ccc(cc3)C)C(F)(F)F)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H20ClF3N4O
All Atoms:27
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:11.1065
Area:588.146
Solvation:-3.59718
Coulombic:-58.8425
Bond Count [?]
All:29
Single:23
Double:6
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:400.826
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:5.24
LogP (Chemaxon):3.7

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Experimental Annotations

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Descriptor Annotations

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