Chemical ID: 7721218

Cc1c(nnn1c2ccc(cc2)OC)C(=O)Nc3ccc(c(c3)OC)OC
Chemical ID:
7721218
Name [?]:
None
SMILES [?]:
Cc1c(nnn1c2ccc(cc2)OC)C(=O)Nc3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C19H20N4O4/c1-12-18(21-22-23(12)14-6-8-15(25-2)9-7-14)19(24)20-13-5-10-16(26-3)17(11-13)27-4/h5-11H,1-4H3,(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,14,27,25,19,8,12,9,11,20,23,2,18,7,10,21,22,3,15,17,4,5,6,16,13,26,24/E:(6,7)(8,9)/rA:27nCCCNNNCCCCCCOCCONCCCCCCOCOC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s3;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N4O4
All Atoms:47
Heavy Atoms:27
Chiral Atoms:None
ZAP Information [?]
Total:7.87748
Area:584.203
Solvation:-6.72761
Coulombic:-46.7809
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.16
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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