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Chemical ID: 6152601
Chemical ID:
6152601
Name [?]:
N-(3,4-dichlorophenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
SMILES [?]:
CN1C(=O)CC(SC1=Nc2ccccc2)C(=O)Nc3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C18H15Cl2N3O2S/c1-23-16(24)10-15(26-18(23)22-11-5-3-2-4-6-11)17(25)21-12-7-8-13(19)14(20)9-12/h2-9,15H,10H2,1H3,(H,21,25)
InChi Info:
AuxInfo=1/1/N:1,13,12,14,11,15,20,21,24,5,10,19,22,23,6,3,16,8,26,25,18,9,2,4,17,7/E:(3,4)(5,6)/rA:26cCNCOCCSCNCCCCCCCONCCCCCCClCl/rB:s1;s2;d3;s3;s5;s6;s2s7;w8;s9;s10;d11;s12;d13;d10s14;s6;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15Cl2N3O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.309 |
Area: | 588.994 |
Solvation: | -3.41588 |
Coulombic: | -42.9174 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 408.302 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.1 |
LogP (Chemaxon): | 4.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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