Chemical ID: 6153167

CCN1C(=O)CC(SC1=Nc2ccc(c(c2)Cl)Cl)C(=O)Nc3ccccc3Cl
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

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Descriptor Annotations

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