Chemical ID: 6018400

Cn1cc(c2c1cccc2)C(CC(=O)NCc3ccc(cc3)F)c4ccsc4
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

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Descriptor Annotations

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