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Chemical ID: 7739261

Cc1cc(c2c(c1)sc(n2)N(Cc3cccnc3)C(=O)c4cccc(c4)[N+](=O)[O-])C

Chemical ID:

7739261

Name [?]:

None

SMILES [?]:

Cc1cc(c2c(c1)sc(n2)N(Cc3cccnc3)C(=O)c4cccc(c4)[N+](=O)[O-])C

InChi [?]:

InChI=1/C22H18N4O3S/c1-14-9-15(2)20-19(10-14)30-22(24-20)25(13-16-5-4-8-23-12-16)21(27)17-6-3-7-18(11-17)26(28)29/h3-12H,13H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,30,23,15,14,22,24,16,3,7,26,18,12,2,4,13,21,25,6,5,19,9,17,10,11,27,20,28,29,8/E:(28,29)/CRV:26.5/rA:30nCCCCCCCSCNNCCCCCNCCOCCCCCCN+OO-C/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s11;d19;s19;s21;d22;s23;d24;d21s25;s25;d27;s27;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₈N₄O₃S
All Atoms:	48
Heavy Atoms:	30
Chiral Atoms:	None

ZAP Information [?]

Total:	6.08734
Area:	614.9
Solvation:	-9.28515
Coulombic:	-38.704

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.93
LogP (Chemaxon):	None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value