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Chemical ID: 7476763
Chemical ID:
7476763
Name [?]:
2-[(2,2-diphenylacetyl)-methyl-amino]-N-phenethyl-benzamide
SMILES [?]:
CN(c1ccccc1C(=O)NCCc2ccccc2)C(=O)C(c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C30H28N2O2/c1-32(30(34)28(24-15-7-3-8-16-24)25-17-9-4-10-18-25)27-20-12-11-19-26(27)29(33)31-22-21-23-13-5-2-6-14-23/h2-20,28H,21-22H2,1H3,(H,31,33)
InChi Info:
AuxInfo=1/1/N:1,17,26,32,16,18,25,27,31,33,6,5,15,19,24,28,30,34,7,4,13,12,14,23,29,8,3,22,9,20,11,2,10,21/E:(3,4)(5,6)(7,8,9,10)(13,14)(15,16,17,18)(24,25)/rA:34nCNCCCCCCCONCCCCCCCCCOCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;s13;s14;d15;s16;d17;d14s18;s2;d20;s20;s22;s23;d24;s25;d26;d23s27;s22;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H28N2O2 |
All Atoms: | 62 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.6969 |
Area: | 697.395 |
Solvation: | -3.73802 |
Coulombic: | -43.257 |
Bond Count [?]
All: | 37 |
Single: | 23 |
Double: | 14 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 448.556 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.89 |
LogP (Chemaxon): | 5.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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