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Chemical ID: 5922108

CCC(C)N(CC(=O)N(CCc1ccccc1)Cc2ccc(o2)C)C(=O)c3ccc(c(c3)Cl)Cl

Chemical ID:

5922108

Name [?]:

3,4-dichloro-N-[[(5-methyl-2-furyl)methyl-phenethyl-carbamoyl]methyl]-N-sec-butyl-benzamide

SMILES [?]:

CCC(C)N(CC(=O)N(CCc1ccccc1)Cc2ccc(o2)C)C(=O)c3ccc(c(c3)Cl)Cl

InChi [?]:

InChI=1/C27H30Cl2N2O3/c1-4-19(2)31(27(33)22-11-13-24(28)25(29)16-22)18-26(32)30(17-23-12-10-20(3)34-23)15-14-21-8-6-5-7-9-21/h5-13,16,19H,4,14-15,17-18H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,4,24,2,15,14,16,13,17,21,28,20,29,11,10,32,18,6,3,22,12,27,19,30,31,7,25,34,33,9,5,8,26,23/E:(6,7)(8,9)/rA:34cCCCCNCCONCCCCCCCCCCCCCOCCOCCCCCCClCl/rB:s1;s2;s3;s3;s5;s6;d7;s7;s9;s10;s11;s12;d13;s14;d15;d12s16;s9;s18;d19;s20;d21;s19s22;s22;s5;d25;s25;s27;d28;s29;d30;d27s31;s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₃₀Cl₂N₂O₃
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	14.3849
Area:	729.931
Solvation:	-3.8634
Coulombic:	-44.0672

Bond Count [?]

All:	36
Single:	26
Double:	10
Rotors:	12
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	501.444
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	5.88
LogP (Chemaxon):	5.39

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value