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Chemical ID: 6657961
Chemical ID:
6657961
Name [?]:
N-[2-methoxy-4-[3-methoxy-4-(3-oxobutanoylamino)phenyl]-phenyl]-3-oxo-butanamide
SMILES [?]:
CC(=O)CC(=O)Nc1ccc(cc1OC)c2ccc(c(c2)OC)NC(=O)CC(=O)C
InChi [?]:
InChI=1/C22H24N2O6/c1-13(25)9-21(27)23-17-7-5-15(11-19(17)29-3)16-6-8-18(20(12-16)30-4)24-22(28)10-14(2)26/h5-8,11-12H,9-10H2,1-4H3,(H,23,27)(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,30,15,23,10,17,9,18,4,27,12,21,2,28,11,16,8,19,13,20,5,25,7,24,3,29,6,26,14,22/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/gE:(1,2)/rA:30nCCOCCONCCCCCCOCCCCCCCOCNCOCCOC/rB:s1;d2;s2;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;s14;s11;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;d25;s25;s27;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24N2O6 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.16328 |
Area: | 657.462 |
Solvation: | -10.2733 |
Coulombic: | -62.0541 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 412.436 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 2.83 |
LogP (Chemaxon): | 2.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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