Chemical ID: 6136634

c1ccc(cc1)CN2C(=O)CC(SC2=Nc3cccc(c3)Cl)C(=O)Nc4ccc(cc4)Cl
Chemical ID:
6136634
Name [?]:
3-benzyl-N-(4-chlorophenyl)-2-(3-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
c1ccc(cc1)CN2C(=O)CC(SC2=Nc3cccc(c3)Cl)C(=O)Nc4ccc(cc4)Cl
InChi [?]:
InChI=1/C24H19Cl2N3O2S/c25-17-9-11-19(12-10-17)27-23(31)21-14-22(30)29(15-16-5-2-1-3-6-16)24(32-21)28-20-8-4-7-18(26)13-20/h1-13,21H,14-15H2,(H,27,31)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,3,5,19,17,28,30,27,31,21,11,7,4,29,20,26,16,12,9,23,14,32,22,25,15,8,10,24,13/E:(2,3)(5,6)(9,10)(11,12)/rA:32cCCCCCCCNCOCCSCNCCCCCCClCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s8s13;w14;s15;s16;d17;s18;d19;d16s20;s20;s12;d23;s23;s25;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H19Cl2N3O2S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:13.5635
Area:689.2
Solvation:-3.66654
Coulombic:-44.7384
Bond Count [?]
All:35
Single:23
Double:12
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:484.398
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.81
LogP (Chemaxon):6.69

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Descriptor Annotations

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