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Chemical ID: 6018159
Chemical ID:
6018159
Name [?]:
N-cyclopropyl-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(2-thienyl)propanamide
SMILES [?]:
c1ccc2c(c1)c(cn2Cc3ccc(cc3)F)C(CC(=O)NC4CC4)c5cccs5
InChi [?]:
InChI=1/C25H23FN2OS/c26-18-9-7-17(8-10-18)15-28-16-22(20-4-1-2-5-23(20)28)21(24-6-3-13-30-24)14-25(29)27-19-11-12-19/h1-10,13,16,19,21H,11-12,14-15H2,(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,2,28,6,3,27,12,16,13,15,24,25,29,19,10,8,11,14,23,5,18,7,4,26,20,17,22,9,21,30/E:(7,8)(9,10)(11,12)/rA:30cCCCCCCCCNCCCCCCCFCCCONCCCCCCCS/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s7;s18;s19;d20;s20;s22;s23;s23s24;s18;d26;s27;d28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H23FN2OS |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.3378 |
Area: | 646.73 |
Solvation: | -3.83047 |
Coulombic: | -32.5816 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 418.527 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.75 |
LogP (Chemaxon): | 5.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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