Chemical ID: 4651881

CN1C(=O)CC(SC1=Nc2ccccc2)C(=O)Nc3ccc(cc3)Cl
Chemical ID:
4651881
Name [?]:
N-(4-chlorophenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
SMILES [?]:
CN1C(=O)CC(SC1=Nc2ccccc2)C(=O)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H16ClN3O2S/c1-22-16(23)11-15(17(24)20-14-9-7-12(19)8-10-14)25-18(22)21-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,13,12,14,11,15,21,23,20,24,5,22,10,19,6,3,16,8,25,18,9,2,4,17,7/E:(3,4)(5,6)(7,8)(9,10)/rA:25cCNCOCCSCNCCCCCCCONCCCCCCCl/rB:s1;s2;d3;s3;s5;s6;s2s7;w8;s9;s10;d11;s12;d13;d10s14;s6;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16ClN3O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.721
Area:562.42
Solvation:-3.33947
Coulombic:-42.917
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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