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Chemical ID: 6012958
Chemical ID:
6012958
Name [?]:
N-[[2-(1H-indol-3-yl)ethyl-(p-tolylmethyl)carbamoyl]methyl]-2-methyl-N-propyl-propanamide
SMILES [?]:
CCCN(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccc(cc3)C)C(=O)C(C)C
InChi [?]:
InChI=1/C27H35N3O2/c1-5-15-30(27(32)20(2)3)19-26(31)29(18-22-12-10-21(4)11-13-22)16-14-23-17-28-25-9-7-6-8-24(23)25/h6-13,17,20,28H,5,14-16,18-19H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,31,32,27,2,17,18,16,19,23,25,22,26,10,3,9,12,20,5,30,24,21,11,15,14,6,28,13,8,4,7,29/E:(2,3)(10,11)(12,13)/rA:32nCCCNCCONCCCCNCCCCCCCCCCCCCCCOCCC/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;s24;s4;d28;s28;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H35N3O2 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.947 |
Area: | 693.257 |
Solvation: | -4.38447 |
Coulombic: | -45.1305 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 433.586 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.58 |
LogP (Chemaxon): | 5.31 |
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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Chemical Mix | Source | External ID | Descriptor | Value |
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