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Chemical ID: 4573415
Chemical ID:
4573415
Name [?]:
None
SMILES [?]:
COCCCn1c(=N)c(cc2c1nc3ccccn3c2=O)C(=O)NCCc4ccc(cc4)OC
InChi [?]:
InChI=1/C25H27N5O4/c1-33-15-5-14-30-22(26)19(24(31)27-12-11-17-7-9-18(34-2)10-8-17)16-20-23(30)28-21-6-3-4-13-29(21)25(20)32/h3-4,6-10,13,16,26H,5,11-12,14-15H2,1-2H3,(H,27,31)
InChi Info:
AuxInfo=1/1/N:1,34,16,17,4,15,28,32,29,31,26,25,18,5,3,10,27,30,9,11,14,7,12,22,20,8,24,13,19,6,23,21,2,33/E:(7,8)(9,10)/rA:34nCOCCCNCNCCCCNCCCCCNCOCONCCCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;w7;s7;d9;s10;s6d11;s12;d13;s14;d15;s16;d17;s14s18;s11s19;d20;s9;d22;s22;s24;s25;s26;s27;d28;s29;d30;d27s31;s30;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H27N5O4 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9861 |
Area: | 723.088 |
Solvation: | -6.09112 |
Coulombic: | -77.0484 |
Bond Count [?]
All: | 37 |
Single: | 26 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 461.513 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.83 |
LogP (Chemaxon): | 2.78 |
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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