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Chemical ID: 5876256
Chemical ID:
5876256
Name [?]:
N-benzyl-2-(2-chloro-2-phenyl-acetyl)amino-N-phenethyl-3-phenyl-propanamide
SMILES [?]:
c1ccc(cc1)CCN(Cc2ccccc2)C(=O)C(Cc3ccccc3)NC(=O)C(c4ccccc4)Cl
InChi [?]:
InChI=1/C32H31ClN2O2/c33-30(28-19-11-4-12-20-28)31(36)34-29(23-26-15-7-2-8-16-26)32(37)35(24-27-17-9-3-10-18-27)22-21-25-13-5-1-6-14-25/h1-20,29-30H,21-24H2,(H,34,36)
InChi Info:
AuxInfo=1/1/N:1,24,14,34,2,6,23,25,13,15,33,35,3,5,22,26,12,16,32,36,7,8,20,10,4,21,11,31,19,30,28,17,37,27,9,29,18/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/rA:37cCCCCCCCCNCCCCCCCCOCCCCCCCCNCOCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s9;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;s19;s27;d28;s28;s30;s31;d32;s33;d34;d31s35;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C32H31ClN2O2 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 14.7051 |
Area: | 735.689 |
Solvation: | -3.68709 |
Coulombic: | -45.2729 |
Bond Count [?]
All: | 40 |
Single: | 26 |
Double: | 14 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 511.054 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 6.3 |
LogP (Chemaxon): | 6.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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