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Chemical ID: 7721218
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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