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Chemical ID: 6018400
Chemical ID:
6018400
Name [?]:
N-[(4-fluorophenyl)methyl]-3-(1-methylindol-3-yl)-3-(3-thienyl)propanamide
SMILES [?]:
Cn1cc(c2c1cccc2)C(CC(=O)NCc3ccc(cc3)F)c4ccsc4
InChi [?]:
InChI=1/C23H21FN2OS/c1-26-14-21(19-4-2-3-5-22(19)26)20(17-10-11-28-15-17)12-23(27)25-13-16-6-8-18(24)9-7-16/h2-11,14-15,20H,12-13H2,1H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,9,8,10,7,18,22,19,21,25,26,12,16,3,28,17,24,20,5,11,4,6,13,23,15,2,14,27/E:(6,7)(8,9)/rA:28cCNCCCCCCCCCCCONCCCCCCCFCCCSC/rB:s1;s2;d3;s4;s2s5;d6;s7;d8;d5s9;s4;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s20;s11;s24;d25;s26;d24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21FN2OS |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.3403 |
Area: | 612.974 |
Solvation: | -3.98406 |
Coulombic: | -32.1559 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 392.49 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.5 |
LogP (Chemaxon): | 5.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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