Chemical ID: 4894594

Cc1cccn2c1nc3c(c2=O)cc(c(=N)n3Cc4cccnc4)C(=O)NCCc5ccc(cc5)OC
Chemical ID:
4894594
Name [?]:
None
SMILES [?]:
Cc1cccn2c1nc3c(c2=O)cc(c(=N)n3Cc4cccnc4)C(=O)NCCc5ccc(cc5)OC
InChi [?]:
InChI=1/C28H26N6O3/c1-18-5-4-14-33-25(18)32-26-23(28(33)36)15-22(24(29)34(26)17-20-6-3-12-30-16-20)27(35)31-13-11-19-7-9-21(37-2)10-8-19/h3-10,12,14-16,29H,11,13,17H2,1-2H3,(H,31,35)
InChi Info:
AuxInfo=1/1/N:1,37,21,4,3,20,31,35,32,34,29,22,28,5,13,24,18,2,30,19,33,14,10,15,7,9,25,11,16,23,27,8,6,17,26,12,36/E:(7,8)(9,10)/rA:37nCCCCCNCNCCCOCCCNNCCCCCNCCONCCCCCCCCOC/rB:s1;d2;s3;d4;s5;s2s6;d7;s8;d9;s6s10;d11;s10;d13;s14;w15;s9s15;s17;s18;s19;d20;s21;d22;d19s23;s14;d25;s25;s27;s28;s29;s30;d31;s32;d33;d30s34;s33;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H26N6O3
All Atoms:37
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:13.0542
Area:726.407
Solvation:-5.10594
Coulombic:-74.5105
Bond Count [?]
All:41
Single:27
Double:14
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:494.545
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.27
LogP (Chemaxon):3.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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