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Chemical ID: 6011335
Chemical ID:
6011335
Name [?]:
N-[[benzyl-[2-(1H-indol-3-yl)ethyl]carbamoyl]methyl]-2,4-dichloro-N-cyclopropyl-benzamide
SMILES [?]:
c1ccc(cc1)CN(CCc2c[nH]c3c2cccc3)C(=O)CN(C4CC4)C(=O)c5ccc(cc5Cl)Cl
InChi [?]:
InChI=1/C29H27Cl2N3O2/c30-22-10-13-25(26(31)16-22)29(36)34(23-11-12-23)19-28(35)33(18-20-6-2-1-3-7-20)15-14-21-17-32-27-9-5-4-8-24(21)27/h1-10,13,16-17,23,32H,11-12,14-15,18-19H2
InChi Info:
AuxInfo=1/0/N:1,2,6,17,18,3,5,16,19,31,25,26,30,10,9,33,12,7,22,4,11,32,24,15,29,34,14,20,27,36,35,13,8,23,21,28/E:(2,3)(6,7)(11,12)/rA:36nCCCCCCCNCCCCNCCCCCCCOCNCCCCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;s13;s11s14;d15;s16;d17;d14s18;s8;d20;s20;s22;s23;s24;s24s25;s23;d27;s27;s29;d30;s31;d32;d29s33;s34;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H27Cl2N3O2 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.9887 |
Area: | 735.521 |
Solvation: | -4.39929 |
Coulombic: | -46.885 |
Bond Count [?]
All: | 40 |
Single: | 28 |
Double: | 12 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 520.449 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 6.32 |
LogP (Chemaxon): | 6.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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