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Chemical ID: 5976313
Chemical ID:
5976313
Name [?]:
5-(4-bromobenzoyl)amino-2-dimethylamino-N-(1-phenylethyl)benzamide
SMILES [?]:
CC(c1ccccc1)NC(=O)c2cc(ccc2N(C)C)NC(=O)c3ccc(cc3)Br
InChi [?]:
InChI=1/C24H24BrN3O2/c1-16(17-7-5-4-6-8-17)26-24(30)21-15-20(13-14-22(21)28(2)3)27-23(29)18-9-11-19(25)12-10-18/h4-16H,1-3H3,(H,26,30)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,19,20,6,5,7,4,8,25,29,26,28,15,16,13,2,3,24,27,14,12,17,22,10,30,9,21,18,23,11/E:(2,3)(5,6)(7,8)(9,10)(11,12)/rA:30cCCCCCCCCNCOCCCCCCNCCNCOCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;s18;s14;s21;d22;s22;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24BrN3O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.5323 |
Area: | 664.241 |
Solvation: | -4.07375 |
Coulombic: | -50.8123 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 466.37 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.64 |
LogP (Chemaxon): | 5.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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