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Chemical ID: 6012913
Chemical ID:
6012913
Name [?]:
2-fluoro-N-[[2-(1H-indol-3-yl)ethyl-(p-tolylmethyl)carbamoyl]methyl]-N-(2-methoxyethyl)benzamide
SMILES [?]:
Cc1ccc(cc1)CN(CCc2c[nH]c3c2cccc3)C(=O)CN(CCOC)C(=O)c4ccccc4F
InChi [?]:
InChI=1/C30H32FN3O3/c1-22-11-13-23(14-12-22)20-33(16-15-24-19-32-28-10-6-4-7-25(24)28)29(35)21-34(17-18-37-2)30(36)26-8-3-5-9-27(26)31/h3-14,19,32H,15-18,20-21H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,33,18,34,19,17,32,35,20,3,7,4,6,11,10,25,26,13,8,23,2,5,12,16,31,36,15,21,29,37,14,9,24,22,30,27/E:(11,12)(13,14)/rA:37nCCCCCCCCNCCCCNCCCCCCCOCNCCOCCOCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;d12;s13;s14;s12s15;d16;s17;d18;d15s19;s9;d21;s21;s23;s24;s25;s26;s27;s24;d29;s29;s31;d32;s33;d34;d31s35;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H32FN3O3 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7965 |
Area: | 745.766 |
Solvation: | -6.84764 |
Coulombic: | -57.5924 |
Bond Count [?]
All: | 40 |
Single: | 28 |
Double: | 12 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 501.592 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.94 |
LogP (Chemaxon): | 5.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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