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Chemical ID: 6152690
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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