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Chemical ID: 5976878
Chemical ID:
5976878
Name [?]:
2-dimethylamino-5-[(2,6-dimethylphenyl)carbamoylamino]-N-(1-phenylethyl)benzamide
SMILES [?]:
Cc1cccc(c1NC(=O)Nc2ccc(c(c2)C(=O)NC(C)c3ccccc3)N(C)C)C
InChi [?]:
InChI=1/C26H30N4O2/c1-17-10-9-11-18(2)24(17)29-26(32)28-21-14-15-23(30(4)5)22(16-21)25(31)27-19(3)20-12-7-6-8-13-20/h6-16,19H,1-5H3,(H,27,31)(H2,28,29,32)
InChi Info:
AuxInfo=1/1/N:1,32,22,30,31,26,25,27,4,3,5,24,28,13,14,17,2,6,21,23,12,16,15,7,18,9,20,11,8,29,19,10/E:(1,2)(4,5)(7,8)(10,11)(12,13)(17,18)/rA:32cCCCCCCCNCONCCCCCCCONCCCCCCCCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;d18;s18;s20;s21;s21;s23;d24;s25;d26;d23s27;s15;s29;s29;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H30N4O2 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.8724 |
Area: | 686.547 |
Solvation: | -4.29125 |
Coulombic: | -62.923 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 430.542 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 4.78 |
LogP (Chemaxon): | 4.49 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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