Chemical ID: 7274459

CC(C#N)OC(=O)c1c2ccccc2nc3c1CCCC3=Cc4ccco4
Chemical ID:
7274459
Name [?]:
1-cyanoethyl 4-(2-furylmethylene)-2,3-dihydro-1H-acridine-9-carboxylate
SMILES [?]:
CC(C#N)OC(=O)c1c2ccccc2nc3c1CCCC3=Cc4ccco4
InChi [?]:
InChI=1/C22H18N2O3/c1-14(13-23)27-22(25)20-17-8-2-3-10-19(17)24-21-15(6-4-9-18(20)21)12-16-7-5-11-26-16/h2-3,5,7-8,10-12,14H,4,6,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,12,19,25,20,24,10,18,13,26,22,3,2,21,23,9,17,14,8,16,6,4,15,7,27,5/rA:27cCCCNOCOCCCCCCCNCCCCCCCCCCCO/rB:s1;s2;t3;s2;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;d15;d8s16;s17;s18;s19;s16s20;w21;s22;d23;s24;d25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18N2O3
All Atoms:45
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:9.86029
Area:548.249
Solvation:-3.84594
Coulombic:-34.6344
Bond Count [?]
All:30
Single:20
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:358.39
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.47
LogP (Chemaxon):4.18

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Descriptor Annotations

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