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Chemical ID: 6182197
Chemical ID:
6182197
Name [?]:
2,5-dichloro-N-[(4-methoxyphenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
COc1ccc(cc1)C=NNC(=O)CNC(=O)c2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C17H15Cl2N3O3/c1-25-13-5-2-11(3-6-13)9-21-22-16(23)10-20-17(24)14-8-12(18)4-7-15(14)19/h2-9H,10H2,1H3,(H,20,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,5,7,21,4,8,22,19,9,14,6,20,3,18,23,12,16,25,24,15,10,11,13,17,2/E:(2,3)(5,6)/rA:25nCOCCCCCCCNNCOCNCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15Cl2N3O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.37445 |
Area: | 598.118 |
Solvation: | -5.5785 |
Coulombic: | -47.5428 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 380.225 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.33 |
LogP (Chemaxon): | 2.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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