Chemical ID: 7349306

COc1ccc(cc1)C(=O)N2CCc3c(c4cc(ccc4[nH]3)OC)C2
Chemical ID:
7349306
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)C(=O)N2CCc3c(c4cc(ccc4[nH]3)OC)C2
InChi [?]:
InChI=1/C20H20N2O3/c1-24-14-5-3-13(4-6-14)20(23)22-10-9-19-17(12-22)16-11-15(25-2)7-8-18(16)21-19/h3-8,11,21H,9-10,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,5,7,4,8,19,20,13,12,17,25,6,3,18,16,15,21,14,9,22,11,10,2,23/E:(3,4)(5,6)/rA:25nCOCCCCCCCONCCCCCCCCCCNOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;d14;s15;s16;d17;s18;d19;d16s20;s14s21;s18;s23;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O3
All Atoms:45
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.18522
Area:531.168
Solvation:-5.09397
Coulombic:-42.0195
Bond Count [?]
All:28
Single:20
Double:8
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:336.384
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.04
LogP (Chemaxon):2.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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