Chemical ID: 6233853

CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(c1=NC(=O)C)CCCOC
Chemical ID:
6233853
Name [?]:
None
SMILES [?]:
CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(c1=NC(=O)C)CCCOC
InChi [?]:
InChI=1/C20H22N4O5/c1-4-29-20(27)15-12-14-17(22-16-8-5-6-9-23(16)19(14)26)24(10-7-11-28-3)18(15)21-13(2)25/h5-6,8-9,12H,4,7,10-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,29,2,13,14,26,12,15,25,27,7,22,8,6,11,9,20,17,4,21,10,16,19,23,18,5,28,3/rA:29nCCOCOCCCCNCCCCCNCONCNCOCCCCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;d12;s13;d14;s11s15;s8s16;d17;s9;s6s19;w20;s21;d22;s22;s19;s25;s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22N4O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.1886
Area:603.054
Solvation:-4.88771
Coulombic:-69.1973
Bond Count [?]
All:31
Single:22
Double:9
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:398.413
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:0.56
LogP (Chemaxon):1.14

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Descriptor Annotations

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