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Chemical ID: 5873997
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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