Chemical ID: 6153150

CCN1C(=O)CC(SC1=Nc2ccc(c(c2)Cl)Cl)C(=O)Nc3cccc(c3)Cl
Chemical ID:
6153150
Name [?]:
N-(3-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)Nc3cccc(c3)Cl
InChi [?]:
InChI=1/C19H16Cl3N3O2S/c1-2-25-17(26)10-16(18(27)23-12-5-3-4-11(20)8-12)28-19(25)24-13-6-7-14(21)15(22)9-13/h3-9,16H,2,10H2,1H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,2,24,25,23,12,13,27,16,6,26,22,11,14,15,7,4,19,9,28,18,17,21,10,3,5,20,8/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;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16Cl3N3O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:12.6311
Area:646.511
Solvation:-3.53164
Coulombic:-42.7981
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):5.77

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Descriptor Annotations

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