Chemical ID: 4941821

CCC1c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccccc5c4
Chemical ID:
4941821
Name [?]:
None
SMILES [?]:
CCC1c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccccc5c4
InChi [?]:
InChI=1/C20H16N2O3/c1-2-13-14-8-17-18-12(7-11-5-3-4-6-16(11)21-18)9-22(17)19(23)15(14)10-25-20(13)24/h3-8,13H,2,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,22,21,23,20,25,5,15,11,24,16,3,4,10,19,6,17,8,13,18,7,9,14,12/rA:25cCCCCCCNCOCCOCOCCCNCCCCCCC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16N2O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:9.14458
Area:504.261
Solvation:-3.46194
Coulombic:-40.8387
Bond Count [?]
All:29
Single:20
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:332.353
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.92
LogP (Chemaxon):2.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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