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Chemical ID: 6008141
Chemical ID:
6008141
Name [?]:
N-[[(3,4-dichlorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]carbamoyl]methyl]-N-propyl-benzamide
SMILES [?]:
CCCN(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccc(c(c3)Cl)Cl)C(=O)c4ccccc4
InChi [?]:
InChI=1/C29H29Cl2N3O2/c1-2-15-34(29(36)22-8-4-3-5-9-22)20-28(35)33(19-21-12-13-25(30)26(31)17-21)16-14-23-18-32-27-11-7-6-10-24(23)27/h3-13,17-18,32H,2,14-16,19-20H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,34,33,35,17,18,32,36,16,19,22,23,10,3,9,26,12,20,5,21,31,11,15,24,25,14,6,29,28,27,13,8,4,7,30/E:(4,5)(8,9)/rA:36nCCCNCCONCCCCNCCCCCCCCCCCCCClClCOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;s13;s11s14;d15;s16;d17;d14s18;s8;s20;s21;d22;s23;d24;d21s25;s25;s24;s4;d29;s29;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H29Cl2N3O2 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.7365 |
Area: | 761.058 |
Solvation: | -4.28993 |
Coulombic: | -48.5285 |
Bond Count [?]
All: | 39 |
Single: | 27 |
Double: | 12 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 522.465 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 6.56 |
LogP (Chemaxon): | 6.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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