Chemical ID: 4807103

Cc1cccn2c1nc3c(c2=O)cc(c(=N)n3Cc4ccccc4)C(=O)NCCc5ccc(cc5)OC
Chemical ID:
4807103
Name [?]:
None
SMILES [?]:
Cc1cccn2c1nc3c(c2=O)cc(c(=N)n3Cc4ccccc4)C(=O)NCCc5ccc(cc5)OC
InChi [?]:
InChI=1/C29H27N5O3/c1-19-7-6-16-33-26(19)32-27-24(29(33)36)17-23(25(30)34(27)18-21-8-4-3-5-9-21)28(35)31-15-14-20-10-12-22(37-2)13-11-20/h3-13,16-17,30H,14-15,18H2,1-2H3,(H,31,35)
InChi Info:
AuxInfo=1/1/N:1,37,22,21,23,4,3,20,24,31,35,32,34,29,28,5,13,18,2,30,19,33,14,10,15,7,9,25,11,16,27,8,6,17,26,12,36/E:(4,5)(8,9)(10,11)(12,13)/rA:37nCCCCCNCNCCCOCCCNNCCCCCCCCONCCCCCCCCOC/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:C29H27N5O3
All Atoms:37
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:13.6132
Area:728.262
Solvation:-4.59335
Coulombic:-71.5737
Bond Count [?]
All:41
Single:27
Double:14
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:493.557
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.52
LogP (Chemaxon):5.13

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue