Chemical ID: 7393945

CCn1c(=O)c2c(nc3n2CCN3c4ccc(cc4)OC)n(c1=O)C
Chemical ID:
7393945
Name [?]:
None
SMILES [?]:
CCn1c(=O)c2c(nc3n2CCN3c4ccc(cc4)OC)n(c1=O)C
InChi [?]:
InChI=1/C17H19N5O3/c1-4-20-15(23)13-14(19(2)17(20)24)18-16-21(9-10-22(13)16)11-5-7-12(25-3)8-6-11/h5-8H,4,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,21,2,15,19,16,18,12,11,14,17,6,7,4,9,23,8,22,3,13,10,5,24,20/E:(5,6)(7,8)/rA:25nCCNCOCCNCNCCNCCCCCCOCNCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s6s9;s10;s11;s9s12;s13;s14;d15;s16;d17;d14s18;s17;s20;s7;s3s22;d23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19N5O3
All Atoms:44
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.35333
Area:521.791
Solvation:-3.69145
Coulombic:-62.2487
Bond Count [?]
All:28
Single:21
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:341.365
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.02
LogP (Chemaxon):2.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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