Chemical ID: 4853852

CN1C(=O)CC(SC1=Nc2cc(c(c(c2)Cl)O)Cl)C(=O)Nc3ccc(cc3)Cl
Chemical ID:
4853852
Name [?]:
N-(4-chlorophenyl)-2-(3,5-dichloro-4-hydroxy-phenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
CN1C(=O)CC(SC1=Nc2cc(c(c(c2)Cl)O)Cl)C(=O)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H14Cl3N3O3S/c1-24-15(25)8-14(17(27)22-10-4-2-9(19)3-5-10)28-18(24)23-11-6-12(20)16(26)13(21)7-11/h2-7,14,26H,8H2,1H3,(H,22,27)
InChi Info:
AuxInfo=1/1/N:1,24,26,23,27,11,15,5,25,22,10,12,14,6,3,13,19,8,28,18,16,21,9,2,4,17,20,7/E:(2,3)(4,5)(6,7)(12,13)(20,21)/rA:28cCNCOCCSCNCCCCCCClOClCONCCCCCCCl/rB:s1;s2;d3;s3;s5;s6;s2s7;w8;s9;s10;d11;s12;d13;d10s14;s14;s13;s12;s6;d19;s19;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14Cl3N3O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:11.5254
Area:641.317
Solvation:-4.50757
Coulombic:-57.4599
Bond Count [?]
All:30
Single:21
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:458.746
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.32
LogP (Chemaxon):5.14

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Descriptor Annotations

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