Chemical ID: 6135604

CNC(=O)C1CC(=O)N(C(=Nc2ccc(cc2)OC)S1)Cc3ccc(cc3)F
Chemical ID:
6135604
Name [?]:
3-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)imino-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
CNC(=O)C1CC(=O)N(C(=Nc2ccc(cc2)OC)S1)Cc3ccc(cc3)F
InChi [?]:
InChI=1/C20H20FN3O3S/c1-22-19(26)17-11-18(25)24(12-13-3-5-14(21)6-4-13)20(28-17)23-15-7-9-16(27-2)10-8-15/h3-10,17H,11-12H2,1-2H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,19,23,27,24,26,13,17,14,16,6,21,22,25,12,15,5,7,3,10,28,2,11,9,8,4,18,20/E:(3,4)(5,6)(7,8)(9,10)/rA:28cCNCOCCCONCNCCCCCCOCSCCCCCCCF/rB:s1;s2;d3;s3;s5;s6;d7;s7;s9;w10;s11;s12;d13;s14;d15;d12s16;s15;s18;s5s10;s9;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20FN3O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:8.99112
Area:580.761
Solvation:-5.5279
Coulombic:-53.1606
Bond Count [?]
All:30
Single:21
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:401.456
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.08
LogP (Chemaxon):3.38

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Descriptor Annotations

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