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Chemical ID: 5277270
Chemical ID:
5277270
Name [?]:
None
SMILES [?]:
CCOC(=O)c1cc2c(nc3c(cccn3c2=O)C)n(c1=NC(=O)c4cccc(c4)F)CC(C)C
InChi [?]:
InChI=1/C26H25FN4O4/c1-5-35-26(34)20-13-19-22(28-21-16(4)8-7-11-30(21)25(19)33)31(14-15(2)3)23(20)29-24(32)17-9-6-10-18(27)12-17/h6-13,15H,5,14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,34,35,19,2,27,14,13,26,28,15,30,7,32,33,12,25,29,8,6,11,9,21,23,17,4,31,10,22,16,20,24,18,5,3/E:(2,3)/rA:35nCCOCOCCCCNCCCCCNCOCNCNCOCCCCCCFCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;d12;s13;d14;s11s15;s8s16;d17;s12;s9;s6s20;w21;s22;d23;s23;s25;d26;s27;d28;d25s29;s29;s20;s32;s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H25FN4O4 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.4015 |
Area: | 650.41 |
Solvation: | -3.8587 |
Coulombic: | -69.1242 |
Bond Count [?]
All: | 38 |
Single: | 26 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 476.5 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.49 |
LogP (Chemaxon): | 4.81 |
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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