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Chemical ID: 5283830
Chemical ID:
5283830
Name [?]:
None
SMILES [?]:
CCOCCCn1c2c(cc(c1=NC(=O)c3cccc(c3)C)C(=O)OCC)c(=O)n4ccccc4n2
InChi [?]:
InChI=1/C27H28N4O5/c1-4-35-15-9-14-31-23-20(26(33)30-13-7-6-12-22(30)28-23)17-21(27(34)36-5-2)24(31)29-25(32)19-11-8-10-18(3)16-19/h6-8,10-13,16-17H,4-5,9,14-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,22,2,26,33,32,18,5,19,17,34,31,6,4,21,10,20,16,9,11,35,8,12,14,28,23,36,13,30,7,15,29,24,3,25/rA:36nCCOCCCNCCCCCNCOCCCCCCCCOOCCCONCCCCCN/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s7s11;w12;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;s11;d23;s23;s25;s26;s9;d28;s28;s30;d31;s32;d33;s30s34;s8d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H28N4O5 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.6907 |
Area: | 698.661 |
Solvation: | -4.77585 |
Coulombic: | -73.0023 |
Bond Count [?]
All: | 39 |
Single: | 27 |
Double: | 12 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 488.535 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.14 |
LogP (Chemaxon): | 3.68 |
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.
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