Chemical ID: 7461013

Cc1c2c(c3ccccc3o2)c4c(n1)CC(CC(=O)N4)(C)C
Chemical ID:
7461013
Name [?]:
None
SMILES [?]:
Cc1c2c(c3ccccc3o2)c4c(n1)CC(CC(=O)N4)(C)C
InChi [?]:
InChI=1/C18H18N2O2/c1-10-17-15(11-6-4-5-7-13(11)22-17)16-12(19-10)8-18(2,3)9-14(21)20-16/h4-7H,8-9H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,21,22,7,8,6,9,15,17,2,5,13,10,18,4,12,3,16,14,20,19,11/E:(2,3)/rA:22nCCCCCCCCCCOCCNCCCCONCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s3s10;s4;d12;d2s13;s13;s15;s16;s17;d18;s12s18;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N2O2
All Atoms:40
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.05562
Area:457.077
Solvation:-2.37131
Coulombic:-33.7843
Bond Count [?]
All:25
Single:18
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:294.348
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.97
LogP (Chemaxon):3.49

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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