Chemical ID: 4466198

COc1ccc(cc1)C(CC(=O)c2ccccc2)Nc3ccc(cc3)C(=O)OC
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

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Descriptor Annotations

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