Chemical ID: 5258769

CCC1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5cc(ccc5c4)N)O
Chemical ID:
5258769
Name [?]:
None
SMILES [?]:
CCC1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5cc(ccc5c4)N)O
InChi [?]:
InChI=1/C20H17N3O4/c1-2-20(26)14-7-16-17-11(5-10-3-4-12(21)6-15(10)22-17)8-23(16)18(24)13(14)9-27-19(20)25/h3-7,26H,2,8-9,21H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,23,22,25,20,5,15,11,24,16,21,10,4,19,6,17,8,13,3,26,18,7,9,14,27,12/rA:27cCCCCCCNCOCCOCOCCCNCCCCCCCNO/rB:s1;s2;s3;s4;d5;s6;s7;d8;d4s8;s10;s11;s3s12;d13;s7;s15;s6s16;d17;s18;s19;d20;s21;d22;d19s23;d16s24;s21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17N3O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:9.16639
Area:532.457
Solvation:-4.14502
Coulombic:-74.9719
Bond Count [?]
All:31
Single:22
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:363.367
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:0.63
LogP (Chemaxon):1.31

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