Chemical ID: 4890582

c1ccc(c(c1)CSc2nnc(o2)C(Cc3c[nH]c4c3cccc4)N)F
Chemical ID:
4890582
Name [?]:
1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethanamine
SMILES [?]:
c1ccc(c(c1)CSc2nnc(o2)C(Cc3c[nH]c4c3cccc4)N)F
InChi [?]:
InChI=1/C19H17FN4OS/c20-15-7-3-1-5-12(15)11-26-19-24-23-18(25-19)16(21)9-13-10-22-17-8-4-2-6-14(13)17/h1-8,10,16,22H,9,11,21H2
InChi Info:
AuxInfo=1/0/N:1,22,2,23,6,21,3,24,15,17,7,5,16,20,4,14,19,12,9,26,25,18,11,10,13,8/rA:26cCCCCCCCSCNNCOCCCCNCCCCCCNF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;s9s12;s12;s14;s15;d16;s17;s18;s16s19;d20;s21;d22;d19s23;s14;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17FN4OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:11.3985
Area:578.161
Solvation:-3.05558
Coulombic:-43.8166
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:368.429
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:4.47
LogP (Chemaxon):3.99

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Descriptor Annotations

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