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Chemical ID: 5539730
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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