Chemical ID: 5170716

CCC(=O)OCCn1c2ccccc2c3c1c(c4ccncc4c3C)C
Chemical ID:
5170716
Name [?]:
None
SMILES [?]:
CCC(=O)OCCn1c2ccccc2c3c1c(c4ccncc4c3C)C
InChi [?]:
InChI=1/C22H22N2O2/c1-4-20(25)26-12-11-24-19-8-6-5-7-17(19)21-14(2)18-13-23-10-9-16(18)15(3)22(21)24/h5-10,13H,4,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,26,2,12,11,13,10,19,20,7,6,22,24,17,18,14,23,9,3,15,16,21,8,4,5/rA:26nCCCOOCCNCCCCCCCCCCCCNCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s8s15;d16;s17;s18;d19;s20;d21;d18s22;d15s23;s24;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22N2O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.8565
Area:551.458
Solvation:-2.92995
Coulombic:-30.1391
Bond Count [?]
All:29
Single:20
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:346.422
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.8
LogP (Chemaxon):5.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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