Chemical ID: 7270458

Cc1ccc(cc1C)NC(=O)COC(=O)c2ccc(cc2)OCC#N
Chemical ID:
7270458
Name [?]:
(3,4-dimethylphenyl)carbamoylmethyl 4-(cyanomethoxy)benzoate
SMILES [?]:
Cc1ccc(cc1C)NC(=O)COC(=O)c2ccc(cc2)OCC#N
InChi [?]:
InChI=1/C19H18N2O4/c1-13-3-6-16(11-14(13)2)21-18(22)12-25-19(23)15-4-7-17(8-5-15)24-10-9-20/h3-8,11H,10,12H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,8,3,17,21,4,18,20,24,23,6,12,2,7,16,5,19,10,14,25,9,11,15,22,13/E:(4,5)(7,8)/rA:25nCCCCCCCCNCOCOCOCCCCCCOCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s22;s23;t24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O4
All Atoms:43
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.41704
Area:588.747
Solvation:-5.30164
Coulombic:-50.6669
Bond Count [?]
All:26
Single:17
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:338.357
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.98
LogP (Chemaxon):3.24

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