Chemical ID: 6005290

CCOCCCN(CC(=O)Nc1cc(on1)C)C(=O)c2ccc(c(c2)Cl)Cl
Chemical ID:
6005290
Name [?]:
3,4-dichloro-N-(3-ethoxypropyl)-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]benzamide
SMILES [?]:
CCOCCCN(CC(=O)Nc1cc(on1)C)C(=O)c2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C18H21Cl2N3O4/c1-3-26-8-4-7-23(11-17(24)21-16-9-12(2)27-22-16)18(25)13-5-6-14(19)15(20)10-13/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,17,2,5,21,22,6,4,13,25,8,14,20,23,24,12,9,18,27,26,11,16,7,10,19,3,15/rA:27nCCOCCCNCCONCCCONCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s12;d13;s14;d12s15;s14;s7;d18;s18;s20;d21;s22;d23;d20s24;s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21Cl2N3O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.5651
Area:647.519
Solvation:-5.62287
Coulombic:-49.0601
Bond Count [?]
All:28
Single:21
Double:7
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:414.283
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.43
LogP (Chemaxon):2.76

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