Chemical ID: 6869334

COc1cc(cc(c1)OC)C(=O)OCC(=O)Nc2ccc(cc2)Cl
Chemical ID:
6869334
Name [?]:
(4-chlorophenyl)carbamoylmethyl 3,5-dimethoxybenzoate
SMILES [?]:
COc1cc(cc(c1)OC)C(=O)OCC(=O)Nc2ccc(cc2)Cl
InChi [?]:
InChI=1/C17H16ClNO5/c1-22-14-7-11(8-15(9-14)23-2)17(21)24-10-16(20)19-13-5-3-12(18)4-6-13/h3-9H,10H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,10,20,22,19,23,4,6,8,14,5,21,18,3,7,15,11,24,17,16,12,2,9,13/E:(1,2)(3,4)(5,6)(7,8)(14,15)(22,23)/rA:24nCOCCCCCCOCCOOCCONCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16ClNO5
All Atoms:40
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.35394
Area:570.213
Solvation:-5.90139
Coulombic:-54.0019
Bond Count [?]
All:25
Single:17
Double:8
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:349.765
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.15
LogP (Chemaxon):2.69

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