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Chemical ID: 6646909
Chemical ID:
6646909
Name [?]:
[4-[(2-phenylacetyl)aminoiminomethyl]phenyl] 2-methylbenzoate
SMILES [?]:
Cc1ccccc1C(=O)Oc2ccc(cc2)C=NNC(=O)Cc3ccccc3
InChi [?]:
InChI=1/C23H20N2O3/c1-17-7-5-6-10-21(17)23(27)28-20-13-11-19(12-14-20)16-24-25-22(26)15-18-8-3-2-4-9-18/h2-14,16H,15H2,1H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,26,25,27,4,5,3,24,28,6,13,15,12,16,22,17,2,23,14,11,7,20,8,18,19,21,9,10/E:(3,4)(8,9)(11,12)(13,14)/rA:28nCCCCCCCCOOCCCCCCCNNCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;w17;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20N2O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.904 |
Area: | 617.946 |
Solvation: | -4.54465 |
Coulombic: | -39.9694 |
Bond Count [?]
All: | 30 |
Single: | 18 |
Double: | 12 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 372.417 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.74 |
LogP (Chemaxon): | 5.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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