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Chemical ID: 7521940
Chemical ID:
7521940
Name [?]:
ethyl 4-[2-[2-(phenylcarbamoyl)phenoxy]acetyl]aminobenzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC(=O)COc2ccccc2C(=O)Nc3ccccc3
InChi [?]:
InChI=1/C24H22N2O5/c1-2-30-24(29)17-12-14-19(15-13-17)25-22(27)16-31-21-11-7-6-10-20(21)23(28)26-18-8-4-3-5-9-18/h3-15H,2,16H2,1H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,2,29,28,30,20,19,27,31,21,18,7,11,8,10,15,6,26,9,22,17,13,23,4,12,25,14,24,5,3,16/E:(4,5)(8,9)(12,13)(14,15)/rA:31nCCOCOCCCCCCNCOCOCCCCCCCONCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s22;d23;s23;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22N2O5 |
All Atoms: | 53 |
Heavy Atoms: | 31 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.90768 |
Area: | 675.733 |
Solvation: | -6.98565 |
Coulombic: | -68.6945 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 11 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.0 |
LogP (Chemaxon): | None |
Name Annotations
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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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