Chemical ID: 5873997

CCN(CC)CCCC(C)N(Cc1cccc(c1)Oc2ccccc2)C(=O)c3ccc(cc3Cl)Cl
Chemical ID:
5873997
Name [?]:
2,4-dichloro-N-(4-diethylamino-1-methyl-butyl)-N-[(3-phenoxyphenyl)methyl]benzamide
SMILES [?]:
CCN(CC)CCCC(C)N(Cc1cccc(c1)Oc2ccccc2)C(=O)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C29H34Cl2N2O2/c1-4-32(5-2)18-10-11-22(3)33(29(34)27-17-16-24(30)20-28(27)31)21-23-12-9-15-26(19-23)35-25-13-7-6-8-14-25/h6-9,12-17,19-20,22H,4-5,10-11,18,21H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,10,2,4,23,22,24,15,7,8,14,21,25,16,30,29,6,18,32,12,9,13,31,20,17,28,33,26,35,34,3,11,27,19/E:(1,2)(4,5)(7,8)(13,14)/rA:35cCCNCCCCCCCNCCCCCCCOCCCCCCCOCCCCCCClCl/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;s20;d21;s22;d23;d20s24;s11;d26;s26;s28;d29;s30;d31;d28s32;s33;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H34Cl2N2O2
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:14.6496
Area:730.289
Solvation:-3.60761
Coulombic:-33.9045
Bond Count [?]
All:37
Single:27
Double:10
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:513.498
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:7.88
LogP (Chemaxon):7.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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