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Chemical ID: 5288040
Chemical ID:
5288040
Name [?]:
None
SMILES [?]:
Cc1cccn2c1nc3c(c2=O)cc(c(=N)n3Cc4ccccc4)C(=O)NCCc5ccc(c(c5)OC)OC
InChi [?]:
InChI=1/C30H29N5O4/c1-19-8-7-15-34-27(19)33-28-23(30(34)37)17-22(26(31)35(28)18-21-9-5-4-6-10-21)29(36)32-14-13-20-11-12-24(38-2)25(16-20)39-3/h4-12,15-17,31H,13-14,18H2,1-3H3,(H,32,36)
InChi Info:
AuxInfo=1/1/N:1,39,37,22,21,23,4,3,20,24,31,32,29,28,5,35,13,18,2,30,19,14,10,33,34,15,7,9,25,11,16,27,8,6,17,26,12,38,36/E:(5,6)(9,10)/rA:39nCCCCCNCNCCCOCCCNNCCCCCCCCONCCCCCCCCOCOC/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: | C30H29N5O4 |
All Atoms: | 39 |
Heavy Atoms: | 39 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3099 |
Area: | 763.5 |
Solvation: | -6.77757 |
Coulombic: | -77.7401 |
Bond Count [?]
All: | 43 |
Single: | 29 |
Double: | 14 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 523.583 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.16 |
LogP (Chemaxon): | 4.88 |
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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