Chemical ID: 6152857

CCN1C(=O)CC(SC1=Nc2ccc(cc2)Cl)C(=O)Nc3ccc(cc3)I
Chemical ID:
6152857
Name [?]:
2-(4-chlorophenyl)imino-3-ethyl-N-(4-iodophenyl)-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
CCN1C(=O)CC(SC1=Nc2ccc(cc2)Cl)C(=O)Nc3ccc(cc3)I
InChi [?]:
InChI=1/C19H17ClIN3O2S/c1-2-24-17(25)11-16(18(26)22-14-9-5-13(21)6-10-14)27-19(24)23-15-7-3-12(20)4-8-15/h3-10,16H,2,11H2,1H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,2,13,15,23,25,12,16,22,26,6,14,24,21,11,7,4,18,9,17,27,20,10,3,5,19,8/E:(3,4)(5,6)(7,8)(9,10)/rA:27cCCNCOCCSCNCCCCCCClCONCCCCCCI/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;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17ClIN3O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:12.4548
Area:633.191
Solvation:-3.37494
Coulombic:-42.6304
Bond Count [?]
All:29
Single:20
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:513.78
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.97
LogP (Chemaxon):5.73

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Descriptor Annotations

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