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Chemical ID: 4651881
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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