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Chemical ID: 7028856

CN(C)CCOC(=O)c1ccc(cc1)NC(=O)c2ccc(o2)c3ccc(c(c3)Cl)Cl

Chemical ID:

7028856

Name [?]:

2-dimethylaminoethyl 4-[[5-(3,4-dichlorophenyl)-2-furyl]carbonylamino]benzoate

SMILES [?]:

CN(C)CCOC(=O)c1ccc(cc1)NC(=O)c2ccc(o2)c3ccc(c(c3)Cl)Cl

InChi [?]:

InChI=1/C22H20Cl2N2O4/c1-26(2)11-12-29-22(28)14-3-6-16(7-4-14)25-21(27)20-10-9-19(30-20)15-5-8-17(23)18(24)13-15/h3-10,13H,11-12H2,1-2H3,(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,3,10,14,24,11,13,25,20,19,4,5,28,9,23,12,26,27,21,18,16,7,30,29,15,2,17,8,6,22/E:(1,2)(3,4)(6,7)/rA:30nCNCCCOCOCCCCCCNCOCCCCOCCCCCCClCl/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s12;s15;d16;s16;d18;s19;d20;s18s21;s21;s23;d24;s25;d26;d23s27;s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₀Cl₂N₂O₄
All Atoms:	50
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	13.6314
Area:	700.311
Solvation:	-3.87635
Coulombic:	-56.7894

Bond Count [?]

All:	32
Single:	22
Double:	10
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	447.311
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.68
LogP (Chemaxon):	4.06

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value