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Chemical ID: 5976376
Chemical ID:
5976376
Name [?]:
N-[4-dimethylamino-3-[(4-methyl-1-piperidyl)carbonyl]phenyl]-4-tert-butyl-benzamide
SMILES [?]:
CC1CCN(CC1)C(=O)c2cc(ccc2N(C)C)NC(=O)c3ccc(cc3)C(C)(C)C
InChi [?]:
InChI=1/C26H35N3O2/c1-18-13-15-29(16-14-18)25(31)22-17-21(11-12-23(22)28(5)6)27-24(30)19-7-9-20(10-8-19)26(2,3)4/h7-12,17-18H,13-16H2,1-6H3,(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,29,30,31,17,18,23,27,24,26,13,14,3,7,4,6,11,2,22,25,12,10,15,20,8,28,19,16,5,21,9/E:(2,3,4)(5,6)(7,8)(9,10)(13,14)(15,16)/rA:31nCCCCNCCCOCCCCCCNCCNCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;s16;s12;s19;d20;s20;s22;d23;s24;d25;d22s26;s25;s28;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H35N3O2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.888 |
Area: | 669.722 |
Solvation: | -3.85508 |
Coulombic: | -46.2714 |
Bond Count [?]
All: | 33 |
Single: | 25 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 421.575 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.94 |
LogP (Chemaxon): | 5.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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