Chemical ID: 4796219

CCN1c2ccccc2C3(C1=O)c4c(=O)c5ccccc5oc4C(=O)N3CCO
Chemical ID:
4796219
Name [?]:
None
SMILES [?]:
CCN1c2ccccc2C3(C1=O)c4c(=O)c5ccccc5oc4C(=O)N3CCO
InChi [?]:
InChI=1/C22H18N2O5/c1-2-23-15-9-5-4-8-14(15)22(21(23)28)17-18(26)13-7-3-6-10-16(13)29-19(17)20(27)24(22)11-12-25/h3-10,25H,2,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,18,7,6,19,17,8,5,20,27,28,16,9,4,21,13,14,23,24,11,10,3,26,29,15,25,12,22/rA:29cCCNCCCCCCCCOCCOCCCCCCOCCONCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;d11;s10;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d13s22;s23;d24;s10s24;s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18N2O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:8.77077
Area:537.306
Solvation:-4.66189
Coulombic:-67.7972
Bond Count [?]
All:33
Single:23
Double:10
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:390.389
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.25
LogP (Chemaxon):1.36

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Descriptor Annotations

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