Chemical ID: 6135434

CCNC(=O)C1CC(=O)N(C(=Nc2ccc(cc2)F)S1)Cc3ccc(cc3)Cl
Chemical ID:
6135434
Name [?]:
3-[(4-chlorophenyl)methyl]-N-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
CCNC(=O)C1CC(=O)N(C(=Nc2ccc(cc2)F)S1)Cc3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H19ClFN3O2S/c1-2-23-19(27)17-11-18(26)25(12-13-3-5-14(21)6-4-13)20(28-17)24-16-9-7-15(22)8-10-16/h3-10,17H,2,11-12H2,1H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,2,23,27,24,26,15,17,14,18,7,21,22,25,16,13,6,8,4,11,28,19,3,12,10,9,5,20/E:(3,4)(5,6)(7,8)(9,10)/rA:28cCCNCOCCCONCNCCCCCCFSCCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;s10;w11;s12;s13;d14;s15;d16;d13s17;s16;s6s11;s10;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19ClFN3O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:10.9503
Area:608.644
Solvation:-4.26577
Coulombic:-47.0187
Bond Count [?]
All:30
Single:21
Double:9
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:419.901
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.21
LogP (Chemaxon):4.49

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Descriptor Annotations

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