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Chemical ID: 5500663
Chemical ID:
5500663
Name [?]:
(4-phenylphenyl)carbamoylmethyl 2-hydroxy-4-methyl-benzoate
SMILES [?]:
Cc1ccc(c(c1)O)C(=O)OCC(=O)Nc2ccc(cc2)c3ccccc3
InChi [?]:
InChI=1/C22H19NO4/c1-15-7-12-19(20(24)13-15)22(26)27-14-21(25)23-18-10-8-17(9-11-18)16-5-3-2-4-6-16/h2-13,24H,14H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,25,24,26,23,27,3,18,20,17,21,4,7,12,2,22,19,16,5,6,13,9,15,8,14,10,11/E:(3,4)(5,6)(8,9)(10,11)/rA:27nCCCCCCCOCOOCCONCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;s9;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H19NO4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3585 |
Area: | 598.002 |
Solvation: | -4.59156 |
Coulombic: | -58.3044 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 361.391 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.65 |
LogP (Chemaxon): | 5.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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