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Chemical ID: 5287146
Chemical ID:
5287146
Name [?]:
None
SMILES [?]:
CCOCCCn1c2c(cc(c1=NC(=O)c3ccccc3)C(=O)OCC)c(=O)n4cccc(c4n2)C
InChi [?]:
InChI=1/C27H28N4O5/c1-4-35-16-10-15-30-23-20(26(33)31-14-9-11-18(3)22(31)28-23)17-21(27(34)36-5-2)24(30)29-25(32)19-12-7-6-8-13-19/h6-9,11-14,17H,4-5,10,15-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,36,2,25,19,18,20,31,5,32,17,21,30,6,4,10,33,16,9,11,34,8,12,14,27,22,35,13,7,29,15,28,23,3,24/E:(7,8)(12,13)/rA:36nCCOCCCNCCCCCNCOCCCCCCCOOCCCONCCCCCNC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s7s11;w12;s13;d14;s14;s16;d17;s18;d19;d16s20;s11;d22;s22;s24;s25;s9;d27;s27;s29;d30;s31;d32;s29s33;s8d34;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H28N4O5 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.4803 |
Area: | 689.592 |
Solvation: | -4.7595 |
Coulombic: | -73.2763 |
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: | 2.84 |
LogP (Chemaxon): | 3.68 |
Name Annotations
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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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