Chemical ID: 7095651

COc1cc(cc(c1OCC(=O)N)Cl)CNCc2ccc3c(c2)OCO3
Chemical ID:
7095651
Name [?]:
2-[4-(benzo[1,3]dioxol-5-ylmethylaminomethyl)-2-chloro-6-methoxy-phenoxy]acetamide
SMILES [?]:
COc1cc(cc(c1OCC(=O)N)Cl)CNCc2ccc3c(c2)OCO3
InChi [?]:
InChI=1/C18H19ClN2O5/c1-23-16-6-12(4-13(19)18(16)24-9-17(20)22)8-21-7-11-2-3-14-15(5-11)26-10-25-14/h2-6,21H,7-10H2,1H3,(H2,20,22)
InChi Info:
AuxInfo=1/1/N:1,19,20,6,23,4,17,15,10,25,18,5,7,21,22,3,11,8,14,13,16,12,2,9,26,24/rA:26nCOCCCCCCOCCONClCNCCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s7;s5;s15;s16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19ClN2O5
All Atoms:45
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:7.34844
Area:604.589
Solvation:-7.76627
Coulombic:-64.8717
Bond Count [?]
All:28
Single:21
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:378.807
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:1.84
LogP (Chemaxon):1.72

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Descriptor Annotations

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