Chemical ID: 4806970

CCN1c2ccccc2C3(C1=O)c4c(=O)c5ccccc5oc4C(=O)N3CC=C
Chemical ID:
4806970
Name [?]:
None
SMILES [?]:
CCN1c2ccccc2C3(C1=O)c4c(=O)c5ccccc5oc4C(=O)N3CC=C
InChi [?]:
InChI=1/C23H18N2O4/c1-3-13-25-21(27)20-18(19(26)14-9-5-8-12-17(14)29-20)23(25)15-10-6-7-11-16(15)24(4-2)22(23)28/h3,5-12H,1,4,13H2,2H3
InChi Info:
AuxInfo=1/0/N:29,1,28,2,18,7,6,19,17,8,5,20,27,16,9,4,21,13,14,23,24,11,10,3,26,15,25,12,22/rA:29cCCNCCCCCCCCOCCOCCCCCCOCCONCCC/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;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H18N2O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:10.1058
Area:549.054
Solvation:-3.62054
Coulombic:-53.8019
Bond Count [?]
All:33
Single:22
Double:11
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:386.4
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.57
LogP (Chemaxon):2.55

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Descriptor Annotations

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