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Chemical ID: 5282778
Chemical ID:
5282778
Name [?]:
None
SMILES [?]:
Cc1cccn2c1nc3c(c2=O)cc(c(=N)n3Cc4cccnc4)C(=O)NCCc5ccc(c(c5)OC)OC
InChi [?]:
InChI=1/C29H28N6O4/c1-18-6-5-13-34-26(18)33-27-22(29(34)37)15-21(25(30)35(27)17-20-7-4-11-31-16-20)28(36)32-12-10-19-8-9-23(38-2)24(14-19)39-3/h4-9,11,13-16,30H,10,12,17H2,1-3H3,(H,32,36)
InChi Info:
AuxInfo=1/1/N:1,39,37,21,4,3,20,31,32,29,22,28,5,35,13,24,18,2,30,19,14,10,33,34,15,7,9,25,11,16,23,27,8,6,17,26,12,38,36/rA:39nCCCCCNCNCCCOCCCNNCCCCCNCCONCCCCCCCCOCOC/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;s34;s36;s33;s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H28N6O4 |
All Atoms: | 39 |
Heavy Atoms: | 39 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7368 |
Area: | 761.665 |
Solvation: | -7.30478 |
Coulombic: | -80.6727 |
Bond Count [?]
All: | 43 |
Single: | 29 |
Double: | 14 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 524.571 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.91 |
LogP (Chemaxon): | 3.57 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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