Chemical ID: 5539730

CC(C(=O)NN=Cc1ccc(c(c1)OC)OCC(=O)N)Oc2ccc(cc2Cl)Cl
Chemical ID:
5539730
Name [?]:
N-[[4-(carbamoylmethoxy)-3-methoxy-phenyl]methyleneamino]-2-(2,4-dichlorophenoxy)-propanamide
SMILES [?]:
CC(C(=O)NN=Cc1ccc(c(c1)OC)OCC(=O)N)Oc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C19H19Cl2N3O5/c1-11(29-15-6-4-13(20)8-14(15)21)19(26)24-23-9-12-3-5-16(17(7-12)27-2)28-10-18(22)25/h3-9,11H,10H2,1-2H3,(H2,22,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,15,9,24,10,23,13,26,7,17,2,8,25,27,22,11,12,18,3,29,28,20,6,5,19,4,14,16,21/rA:29cCCCONNCCCCCCCOCOCCONOCCCCCCClCl/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;s11;s16;s17;d18;s18;s2;s21;s22;d23;s24;d25;d22s26;s27;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19Cl2N3O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:5.65797
Area:678.289
Solvation:-11.2993
Coulombic:-63.2618
Bond Count [?]
All:30
Single:21
Double:9
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:440.277
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:3.66
LogP (Chemaxon):2.76

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