Chemical ID: 6135335

c1ccc(cc1)CCN2C(=O)CC(SC2=Nc3ccc(cc3)F)C(=O)N
Chemical ID:
6135335
Name [?]:
2-(4-fluorophenyl)imino-4-oxo-3-phenethyl-1,3-thiazinane-6-carboxamide
SMILES [?]:
c1ccc(cc1)CCN2C(=O)CC(SC2=Nc3ccc(cc3)F)C(=O)N
InChi [?]:
InChI=1/C19H18FN3O2S/c20-14-6-8-15(9-7-14)22-19-23(11-10-13-4-2-1-3-5-13)17(24)12-16(26-19)18(21)25/h1-9,16H,10-12H2,(H2,21,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,19,21,18,22,7,8,12,4,20,17,13,10,24,15,23,26,16,9,11,25,14/E:(2,3)(4,5)(6,7)(8,9)/rA:26cCCCCCCCCNCOCCSCNCCCCCCFCON/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;s13;s9s14;w15;s16;s17;d18;s19;d20;d17s21;s20;s13;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18FN3O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:9.1183
Area:541.146
Solvation:-4.41034
Coulombic:-50.9592
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:371.43
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.8
LogP (Chemaxon):3.64

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