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Chemical ID: 7492809
Chemical ID:
7492809
Name [?]:
propyl 4-(2-benzyloxybenzoyl)aminobenzoate
SMILES [?]:
CCCOC(=O)c1ccc(cc1)NC(=O)c2ccccc2OCc3ccccc3
InChi [?]:
InChI=1/C24H23NO4/c1-2-16-28-24(27)19-12-14-20(15-13-19)25-23(26)21-10-6-7-11-22(21)29-17-18-8-4-3-5-9-18/h3-15H,2,16-17H2,1H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,27,26,28,18,19,25,29,17,20,8,12,9,11,3,23,24,7,10,16,21,14,5,13,15,6,4,22/E:(4,5)(8,9)(12,13)(14,15)/rA:29nCCCOCOCCCCCCNCOCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23NO4 |
All Atoms: | 52 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4083 |
Area: | 653.731 |
Solvation: | -4.935 |
Coulombic: | -50.8201 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 389.444 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.33 |
LogP (Chemaxon): | 4.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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