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Chemical ID: 4466198
Chemical ID:
4466198
Name [?]:
methyl 4-[1-(4-methoxyphenyl)-3-oxo-3-phenyl-propyl]aminobenzoate
SMILES [?]:
COc1ccc(cc1)C(CC(=O)c2ccccc2)Nc3ccc(cc3)C(=O)OC
InChi [?]:
InChI=1/C24H23NO4/c1-28-21-14-10-17(11-15-21)22(16-23(26)18-6-4-3-5-7-18)25-20-12-8-19(9-13-20)24(27)29-2/h3-15,22,25H,16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,16,15,17,14,18,22,24,5,7,21,25,4,8,10,6,13,23,20,3,9,11,26,19,12,27,2,28/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:29cCOCCCCCCCCCOCCCCCCNCCCCCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s9;s19;s20;d21;s22;d23;d20s24;s23;d26;s26;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23NO4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.865 |
Area: | 639.042 |
Solvation: | -5.11103 |
Coulombic: | -48.4 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 389.444 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.24 |
LogP (Chemaxon): | 4.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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