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Chemical ID: 5270082
Chemical ID:
5270082
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)Cn2c(=N)c(cc3c2nc4ccccn4c3=O)C(=O)NCCc5ccc(c(c5)OC)OC
InChi [?]:
InChI=1/C30H29N5O4/c1-19-7-9-21(10-8-19)18-35-27(31)22(17-23-28(35)33-26-6-4-5-15-34(26)30(23)37)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:1,39,37,19,20,18,3,7,4,6,31,32,29,28,21,35,13,8,2,30,5,12,14,33,34,17,10,15,25,23,11,27,16,22,9,26,24,38,36/E:(7,8)(9,10)/rA:39nCCCCCCCCNCNCCCCNCCCCCNCOCONCCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;w10;s10;d12;s13;s9d14;s15;d16;s17;d18;s19;d20;s17s21;s14s22;d23;s12;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: | 12.6541 |
Area: | 777.403 |
Solvation: | -6.78096 |
Coulombic: | -77.4116 |
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: | 3.46 |
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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