Chemical ID: 4806882

Cc1cccn2c1nc3c(c2=O)cc(c(=N)n3C)C(=O)NCc4ccc5c(c4)OCO5
Chemical ID:
4806882
Name [?]:
None
SMILES [?]:
Cc1cccn2c1nc3c(c2=O)cc(c(=N)n3C)C(=O)NCc4ccc5c(c4)OCO5
InChi [?]:
InChI=1/C22H19N5O4/c1-12-4-3-7-27-19(12)25-20-15(22(27)29)9-14(18(23)26(20)2)21(28)24-10-13-5-6-16-17(8-13)31-11-30-16/h3-9,23H,10-11H2,1-2H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,18,4,3,24,25,5,28,13,22,30,2,23,14,10,26,27,15,7,9,19,11,16,21,8,17,6,20,12,31,29/rA:31nCCCCCNCNCCCOCCCNNCCONCCCCCCCOCO/rB:s1;d2;s3;d4;s5;s2s6;d7;s8;d9;s6s10;d11;s10;d13;s14;w15;s9s15;s17;s14;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s27;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H19N5O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.0012
Area:619.553
Solvation:-4.48761
Coulombic:-78.0801
Bond Count [?]
All:35
Single:24
Double:11
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:417.418
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.49
LogP (Chemaxon):3.04

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Descriptor Annotations

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