Chemical ID: 7405048

Cc1c(oc2n1c3c(n2)n(c(=O)n(c3=O)Cc4ccccc4)C)C
Chemical ID:
7405048
Name [?]:
None
SMILES [?]:
Cc1c(oc2n1c3c(n2)n(c(=O)n(c3=O)Cc4ccccc4)C)C
InChi [?]:
InChI=1/C17H16N4O3/c1-10-11(2)24-16-18-14-13(21(10)16)15(22)20(17(23)19(14)3)9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,23,20,19,21,18,22,16,2,3,17,7,8,14,5,11,9,10,13,6,15,12,4/E:(5,6)(7,8)/rA:24nCCCOCNCCNNCONCOCCCCCCCCC/rB:s1;d2;s3;s4;s2s5;s6;d7;d5s8;s8;s10;d11;s11;s7s13;d14;s13;s16;s17;d18;s19;d20;d17s21;s10;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N4O3
All Atoms:40
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.87842
Area:491.03
Solvation:-2.39733
Coulombic:-57.8584
Bond Count [?]
All:27
Single:19
Double:8
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:324.334
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.16
LogP (Chemaxon):2.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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