Chemical ID: 6152825

CCN1C(=O)CC(SC1=Nc2ccc(cc2)Br)C(=O)Nc3cccc(c3)Cl
Chemical ID:
6152825
Name [?]:
2-(4-bromophenyl)imino-N-(3-chlorophenyl)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
CCN1C(=O)CC(SC1=Nc2ccc(cc2)Br)C(=O)Nc3cccc(c3)Cl
InChi [?]:
InChI=1/C19H17BrClN3O2S/c1-2-24-17(25)11-16(18(26)22-15-5-3-4-13(21)10-15)27-19(24)23-14-8-6-12(20)7-9-14/h3-10,16H,2,11H2,1H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,2,23,24,22,13,15,12,16,26,6,14,25,11,21,7,4,18,9,17,27,20,10,3,5,19,8/E:(6,7)(8,9)/rA:27cCCNCOCCSCNCCCCCCBrCONCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s7;s3s8;w9;s10;s11;d12;s13;d14;d11s15;s14;s7;d18;s18;s20;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17BrClN3O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:12.0087
Area:615.981
Solvation:-3.39081
Coulombic:-42.7476
Bond Count [?]
All:29
Single:20
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:466.78
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.7
LogP (Chemaxon):5.53

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