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Chemical ID: 6153167
Chemical ID:
6153167
Name [?]:
N-(2-chlorophenyl)-2-(3,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
CCN1C(=O)CC(SC1=Nc2ccc(c(c2)Cl)Cl)C(=O)Nc3ccccc3Cl
InChi [?]:
InChI=1/C19H16Cl3N3O2S/c1-2-25-17(26)10-16(18(27)24-15-6-4-3-5-13(15)21)28-19(25)23-11-7-8-12(20)14(22)9-11/h3-9,16H,2,10H2,1H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,2,25,24,26,23,12,13,16,6,11,14,27,15,22,7,4,19,9,18,28,17,10,21,3,5,20,8/rA:28cCCNCOCCSCNCCCCCCClClCONCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s7;s3s8;w9;s10;s11;d12;s13;d14;d11s15;s15;s14;s7;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16Cl3N3O2S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.7651 |
Area: | 641.732 |
Solvation: | -3.27818 |
Coulombic: | -43.4733 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 456.773 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.15 |
LogP (Chemaxon): | 5.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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