Chemical ID: 5178749

Cc1c2ccncc2c(c3c1n(c4c3cccc4)CCCN5C(=O)c6ccccc6C5=O)C
Chemical ID:
5178749
Name [?]:
None
SMILES [?]:
Cc1c2ccncc2c(c3c1n(c4c3cccc4)CCCN5C(=O)c6ccccc6C5=O)C
InChi [?]:
InChI=1/C28H23N3O2/c1-17-23-16-29-13-12-19(23)18(2)26-25(17)22-10-5-6-11-24(22)30(26)14-7-15-31-27(32)20-8-3-4-9-21(20)28(31)33/h3-6,8-13,16H,7,14-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:33,1,27,28,16,17,20,26,29,15,18,4,5,19,21,7,9,2,3,25,30,14,8,13,10,11,23,31,6,12,22,24,32/E:(3,4)(8,9)(20,21)(27,28)(32,33)/rA:33nCCCCCNCCCCCNCCCCCCCCCNCOCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;d2s10;s11;s12;s10s13;d14;s15;d16;d13s17;s12;s19;s20;s21;s22;d23;s23;s25;d26;s27;d28;d25s29;s22s30;d31;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H23N3O2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:12.3317
Area:637.046
Solvation:-3.59441
Coulombic:-38.7641
Bond Count [?]
All:38
Single:25
Double:13
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:433.501
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.79
LogP (Chemaxon):5.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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