Chemical ID: 4902572

CCc1c2c([nH]n1)OC(=C(C23c4ccccc4N(C3=O)Cc5ccccc5)C#N)N
Chemical ID:
4902572
Name [?]:
None
SMILES [?]:
CCc1c2c([nH]n1)OC(=C(C23c4ccccc4N(C3=O)Cc5ccccc5)C#N)N
InChi [?]:
InChI=1/C23H19N5O2/c1-2-17-19-21(27-26-17)30-20(25)16(12-24)23(19)15-10-6-7-11-18(15)28(22(23)29)13-14-8-4-3-5-9-14/h3-11H,2,13,25H2,1H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,25,24,26,14,15,23,27,13,16,28,21,22,12,10,3,17,4,9,5,19,11,29,30,7,6,18,20,8/E:(4,5)(8,9)/rA:30cCCCCCNNOCCCCCCCCCNCOCCCCCCCCNN/rB:s1;s2;s3;d4;s5;d3s6;s5;s8;d9;s4s10;s11;s12;d13;s14;d15;d12s16;s17;s11s18;d19;s18;s21;s22;d23;s24;d25;d22s26;s10;t28;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H19N5O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:10.1964
Area:546.939
Solvation:-3.47709
Coulombic:-54.3249
Bond Count [?]
All:34
Single:23
Double:10
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:397.429
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.89
LogP (Chemaxon):3.1

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