Chemical ID: 5449950

CC(C)Oc1ccc(cc1)C(=O)OCC(=O)Nc2ccc(cc2)C#N
Chemical ID:
5449950
Name [?]:
(4-cyanophenyl)carbamoylmethyl 4-isopropoxybenzoate
SMILES [?]:
CC(C)Oc1ccc(cc1)C(=O)OCC(=O)Nc2ccc(cc2)C#N
InChi [?]:
InChI=1/C19H18N2O4/c1-13(2)25-17-9-5-15(6-10-17)19(23)24-12-18(22)21-16-7-3-14(11-20)4-8-16/h3-10,13H,12H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,20,22,7,9,19,23,6,10,24,14,2,21,8,18,5,15,11,25,17,16,12,13,4/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:25nCCCOCCCCCCCOOCCONCCCCCCCN/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;t24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.1626
Area:589.717
Solvation:-4.58028
Coulombic:-51.7067
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:3.22
LogP (Chemaxon):2.99

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