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Chemical ID: 5892675
Chemical ID:
5892675
Name [?]:
5-(2,2-diphenylacetyl)amino-2-(4-methyl-1-piperidyl)-N-(1-phenylethyl)benzamide
SMILES [?]:
CC1CCN(CC1)c2ccc(cc2C(=O)NC(C)c3ccccc3)NC(=O)C(c4ccccc4)c5ccccc5
InChi [?]:
InChI=1/C35H37N3O2/c1-25-20-22-38(23-21-25)32-19-18-30(24-31(32)34(39)36-26(2)27-12-6-3-7-13-27)37-35(40)33(28-14-8-4-9-15-28)29-16-10-5-11-17-29/h3-19,24-26,33H,20-23H2,1-2H3,(H,36,39)(H,37,40)
InChi Info:
AuxInfo=1/1/N:1,18,22,32,38,21,23,31,33,37,39,20,24,30,34,36,40,10,9,3,7,4,6,12,2,17,19,29,35,11,13,8,28,14,26,16,25,5,15,27/E:(4,5)(6,7)(8,9,10,11)(12,13)(14,15,16,17)(20,21)(22,23)(28,29)/rA:40cCCCCNCCCCCCCCCONCCCCCCCCNCOCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s13;d14;s14;s16;s17;s17;s19;d20;s21;d22;d19s23;s11;s25;d26;s26;s28;s29;d30;s31;d32;d29s33;s28;s35;d36;s37;d38;d35s39;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C35H37N3O2 |
All Atoms: | 40 |
Heavy Atoms: | 40 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 15.7462 |
Area: | 815.689 |
Solvation: | -4.64604 |
Coulombic: | -52.7838 |
Bond Count [?]
All: | 44 |
Single: | 30 |
Double: | 14 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 531.687 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 7.69 |
LogP (Chemaxon): | 7.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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