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Chemical ID: 6012955
Chemical ID:
6012955
Name [?]:
4-fluoro-N-[[2-(1H-indol-3-yl)ethyl-(p-tolylmethyl)carbamoyl]methyl]-N-propyl-benzamide
SMILES [?]:
CCCN(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccc(cc3)C)C(=O)c4ccc(cc4)F
InChi [?]:
InChI=1/C30H32FN3O2/c1-3-17-34(30(36)24-12-14-26(31)15-13-24)21-29(35)33(20-23-10-8-22(2)9-11-23)18-16-25-19-32-28-7-5-4-6-27(25)28/h4-15,19,32H,3,16-18,20-21H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,2,17,18,16,19,23,25,22,26,31,35,32,34,10,3,9,12,20,5,24,21,30,11,33,15,14,6,28,36,13,8,4,7,29/E:(8,9)(10,11)(12,13)(14,15)/rA:36nCCCNCCONCCCCNCCCCCCCCCCCCCCCOCCCCCCF/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;d31;s32;d33;d30s34;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H32FN3O2 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.1612 |
Area: | 727.422 |
Solvation: | -5.02435 |
Coulombic: | -50.8216 |
Bond Count [?]
All: | 39 |
Single: | 27 |
Double: | 12 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 485.592 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.91 |
LogP (Chemaxon): | 5.98 |
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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