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Chemical ID: 6882665
Chemical ID:
6882665
Name [?]:
(4-phenoxyphenyl)carbamoylmethyl 4-methylbenzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)OCC(=O)Nc2ccc(cc2)Oc3ccccc3
InChi [?]:
InChI=1/C22H19NO4/c1-16-7-9-17(10-8-16)22(25)26-15-21(24)23-18-11-13-20(14-12-18)27-19-5-3-2-4-6-19/h2-14H,15H2,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,25,24,26,23,27,3,7,4,6,16,20,17,19,11,2,5,15,22,18,12,8,14,13,9,10,21/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:27nCCCCCCCCOOCCONCCCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H19NO4 |
All Atoms: | 46 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9887 |
Area: | 599.39 |
Solvation: | -3.99602 |
Coulombic: | -50.3903 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 361.391 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.61 |
LogP (Chemaxon): | 4.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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