Chemical ID: 7729485

Cc1ccc(cc1Cl)n2c3c(c(=O)n(cn3)CC(=O)N4CC(OC(C4)C)C)nn2
Chemical ID:
7729485
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1Cl)n2c3c(c(=O)n(cn3)CC(=O)N4CC(OC(C4)C)C)nn2
InChi [?]:
InChI=1/C19H21ClN6O3/c1-11-4-5-14(6-15(11)20)26-18-17(22-23-26)19(28)25(10-21-18)9-16(27)24-7-12(2)29-13(3)8-24/h4-6,10,12-13H,7-9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,27,3,4,6,25,21,17,15,2,24,22,5,7,18,11,10,12,8,16,28,29,20,14,9,19,13,23/E:(2,3)(7,8)(12,13)/rA:29cCCCCCCCClNCCCONCNCCONCCOCCCCNN/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;d12;s12;s14;s10d15;s14;s17;d18;s18;s20;s21;s22;s23;s20s24;s24;s22;s11;s9d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21ClN6O3
All Atoms:50
Heavy Atoms:29
Chiral Atoms:None
ZAP Information [?]
Total:10.841
Area:628.257
Solvation:-4.86538
Coulombic:-51.7343
Bond Count [?]
All:32
Single:24
Double:8
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.15
LogP (Chemaxon):None

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Descriptor Annotations

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