Chemical ID: 6012654

CC(C)N(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccccc3OC)C(=O)C45CC6CC(C4)CC(C6)C5
Chemical ID:
6012654
Name [?]:
N-[[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]carbamoyl]methyl]-N-isopropyl-adamantane-1-carboxamide
SMILES [?]:
CC(C)N(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccccc3OC)C(=O)C45CC6CC(C4)CC(C6)C5
InChi [?]:
InChI=1/C34H43N3O3/c1-23(2)37(33(39)34-17-24-14-25(18-34)16-26(15-24)19-34)22-32(38)36(21-28-8-4-7-11-31(28)40-3)13-12-27-20-35-30-10-6-5-9-29(27)30/h4-11,20,23-26,35H,12-19,21-22H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,28,23,17,18,24,22,16,19,25,10,9,34,37,39,36,32,40,12,20,5,2,35,33,38,11,21,15,14,26,6,29,31,13,8,4,7,30,27/E:(1,2)(14,15,16)(17,18,19)(24,25,26)/rA:40nCCCNCCONCCCCNCCCCCCCCCCCCCOCCOCCCCCCCCCC/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;s32;s33;s34;s31s35;s35;s37;s33s38;s31s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C34H43N3O3
All Atoms:40
Heavy Atoms:40
Chiral Atoms:0
ZAP Information [?]
Total:13.5939
Area:737.021
Solvation:-4.83159
Coulombic:-53.1854
Bond Count [?]
All:45
Single:36
Double:9
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:541.724
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:6.57
LogP (Chemaxon):5.86

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Descriptor Annotations

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