Chemical ID: 6152690

CN1C(=O)CC(SC1=Nc2ccc(cc2)Cl)C(=O)Nc3ccccc3
Chemical ID:
6152690
Name [?]:
2-(4-chlorophenyl)imino-3-methyl-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
SMILES [?]:
CN1C(=O)CC(SC1=Nc2ccc(cc2)Cl)C(=O)Nc3ccccc3
InChi [?]:
InChI=1/C18H16ClN3O2S/c1-22-16(23)11-15(17(24)20-13-5-3-2-4-6-13)25-18(22)21-14-9-7-12(19)8-10-14/h2-10,15H,11H2,1H3,(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,21,25,12,14,11,15,5,13,20,10,6,3,17,8,16,19,9,2,4,18,7/E:(3,4)(5,6)(7,8)(9,10)/rA:25cCNCOCCSCNCCCCCCClCONCCCCCC/rB:s1;s2;d3;s3;s5;s6;s2s7;w8;s9;s10;d11;s12;d13;d10s14;s13;s6;d17;s17;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16ClN3O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.6156
Area:562.272
Solvation:-3.44115
Coulombic:-42.709
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:373.857
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.48
LogP (Chemaxon):4.39

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