Chemical ID: 6602474

Cc1cccc(c1NC(=O)COC(=O)c2ccc(cc2)O)C(C)C
Chemical ID:
6602474
Name [?]:
(2-isopropyl-6-methyl-phenyl)carbamoylmethyl 4-hydroxybenzoate
SMILES [?]:
Cc1cccc(c1NC(=O)COC(=O)c2ccc(cc2)O)C(C)C
InChi [?]:
InChI=1/C19H21NO4/c1-12(2)16-6-4-5-13(3)18(16)20-17(22)11-24-19(23)14-7-9-15(21)10-8-14/h4-10,12,21H,11H2,1-3H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:23,24,1,4,3,5,16,20,17,19,11,22,2,15,18,6,9,7,13,8,21,10,14,12/E:(1,2)(7,8)(9,10)/rA:24nCCCCCCCNCOCOCOCCCCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;s6;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21NO4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.61617
Area:552.949
Solvation:-4.20756
Coulombic:-57.3951
Bond Count [?]
All:25
Single:17
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:327.374
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.71
LogP (Chemaxon):2.75

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