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Chemical ID: 6005650
Chemical ID:
6005650
Name [?]:
3-cyclopentyl-N-[[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]carbamoyl]methyl]-N-isopropyl-propanamide
SMILES [?]:
CC(C)N(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccc(cc3)OC)C(=O)CCC4CCCC4
InChi [?]:
InChI=1/C31H41N3O3/c1-23(2)34(30(35)17-14-24-8-4-5-9-24)22-31(36)33(21-25-12-15-27(37-3)16-13-25)19-18-26-20-32-29-11-7-6-10-28(26)29/h6-7,10-13,15-16,20,23-24,32H,4-5,8-9,14,17-19,21-22H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,28,35,36,17,18,34,37,16,19,22,26,32,23,25,31,10,9,12,20,5,2,33,21,11,24,15,14,29,6,13,8,4,30,7,27/E:(1,2)(4,5)(8,9)(12,13)(15,16)/rA:37nCCCNCCONCCCCNCCCCCCCCCCCCCOCCOCCCCCCC/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;s24;s27;s4;d29;s29;s31;s32;s33;s34;s35;s33s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H41N3O3 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.2377 |
Area: | 784.355 |
Solvation: | -5.37116 |
Coulombic: | -52.3536 |
Bond Count [?]
All: | 40 |
Single: | 31 |
Double: | 9 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 503.676 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 6.31 |
LogP (Chemaxon): | 5.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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