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Chemical ID: 6012651
Chemical ID:
6012651
Name [?]:
N-[[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]carbamoyl]methyl]-N-isopropyl-heptanamide
SMILES [?]:
CCCCCCC(=O)N(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccccc3OC)C(C)C
InChi [?]:
InChI=1/C30H41N3O3/c1-5-6-7-8-17-29(34)33(23(2)3)22-30(35)32(21-25-13-9-12-16-28(25)36-4)19-18-24-20-31-27-15-11-10-14-26(24)27/h9-16,20,23,31H,5-8,17-19,21-22H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,35,36,33,2,3,4,5,28,22,23,29,27,21,24,30,6,15,14,17,25,10,34,16,26,20,19,31,7,11,18,13,9,8,12,32/E:(2,3)/rA:36nCCCCCCCONCCONCCCCNCCCCCCCCCCCCCOCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;d11;s11;s13;s14;s15;d16;s17;s18;s16s19;d20;s21;d22;d19s23;s13;s25;s26;d27;s28;d29;d26s30;s31;s32;s9;s34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H41N3O3 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.2734 |
Area: | 771.093 |
Solvation: | -5.00394 |
Coulombic: | -52.9585 |
Bond Count [?]
All: | 38 |
Single: | 29 |
Double: | 9 |
Rotors: | 16 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 491.665 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 6.14 |
LogP (Chemaxon): | 5.55 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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