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Chemical ID: 6012656
Chemical ID:
6012656
Name [?]:
3-chloro-N-[[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]carbamoyl]methyl]-N-isopropyl-benzamide
SMILES [?]:
CC(C)N(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccccc3OC)C(=O)c4cccc(c4)Cl
InChi [?]:
InChI=1/C30H32ClN3O3/c1-21(2)34(30(36)22-10-8-11-25(31)17-22)20-29(35)33(19-24-9-4-7-14-28(24)37-3)16-15-23-18-32-27-13-6-5-12-26(23)27/h4-14,17-18,21,32H,15-16,19-20H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,28,23,17,18,24,33,22,32,34,16,19,25,10,9,36,12,20,5,2,31,11,21,35,15,14,26,6,29,37,13,8,4,7,30,27/E:(1,2)/rA:37nCCCNCCONCCCCNCCCCCCCCCCCCCOCCOCCCCCCCl/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;d11;s12;s13;s11s14;d15;s16;d17;d14s18;s8;s20;s21;d22;s23;d24;d21s25;s26;s27;s4;d29;s29;s31;d32;s33;d34;d31s35;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H32ClN3O3 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.1895 |
Area: | 717.545 |
Solvation: | -4.7491 |
Coulombic: | -55.1113 |
Bond Count [?]
All: | 40 |
Single: | 28 |
Double: | 12 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 518.046 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.95 |
LogP (Chemaxon): | 5.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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