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Chemical ID: 7340668
Chemical ID:
7340668
Name [?]:
None
SMILES [?]:
Cc1cc(c(c(c1)C)n2c(=O)c(c([nH]c2=O)O)C3c4c(c5ccccc5[nH]4)CCN3)C
InChi [?]:
InChI=1/C24H24N4O3/c1-12-10-13(2)21(14(3)11-12)28-23(30)18(22(29)27-24(28)31)20-19-16(8-9-25-20)15-6-4-5-7-17(15)26-19/h4-7,10-11,20,25-26,29H,8-9H2,1-3H3,(H,27,31)
InChi Info:
AuxInfo=1/1/N:1,8,31,23,24,22,25,28,29,7,3,2,6,4,21,20,26,12,19,18,5,13,10,15,30,27,14,9,17,11,16/E:(2,3)(10,11)(13,14)/rA:31cCCCCCCCCNCOCCNCOOCCCCCCCCCNCCNC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;d12;s13;s9s14;d15;s13;s12;s18;d19;s20;s21;d22;s23;d24;d21s25;s19s26;s20;s28;s18s29;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N4O3 |
All Atoms: | 55 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.5397 |
Area: | 590.127 |
Solvation: | -4.21344 |
Coulombic: | -74.3254 |
Bond Count [?]
All: | 35 |
Single: | 25 |
Double: | 10 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 416.473 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.74 |
LogP (Chemaxon): | 2.68 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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