Chemical ID: 5277270

CCOC(=O)c1cc2c(nc3c(cccn3c2=O)C)n(c1=NC(=O)c4cccc(c4)F)CC(C)C
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.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue