Chemical ID: 6135447

c1ccc(cc1)N=C2N(C(=O)CC(S2)C(=O)Nc3cc(cc(c3)Cl)Cl)Cc4ccc(cc4)F
Chemical ID:
6135447
Name [?]:
N-(3,5-dichlorophenyl)-3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
SMILES [?]:
c1ccc(cc1)N=C2N(C(=O)CC(S2)C(=O)Nc3cc(cc(c3)Cl)Cl)Cc4ccc(cc4)F
InChi [?]:
InChI=1/C24H18Cl2FN3O2S/c25-16-10-17(26)12-20(11-16)28-23(32)21-13-22(31)30(14-15-6-8-18(27)9-7-15)24(33-21)29-19-4-2-1-3-5-19/h1-12,21H,13-14H2,(H,28,32)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,28,32,29,31,21,19,23,12,26,27,20,22,30,4,18,13,10,15,8,25,24,33,17,7,9,11,16,14/E:(2,3)(4,5)(6,7)(8,9)(11,12)(16,17)(25,26)/rA:33cCCCCCCNCNCOCCSCONCCCCCCClClCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;s12;s8s13;s13;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;s20;s9;s26;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H18Cl2FN3O2S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:13.0471
Area:695.397
Solvation:-4.33785
Coulombic:-47.8815
Bond Count [?]
All:36
Single:24
Double:12
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:502.389
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.97
LogP (Chemaxon):6.83

Name Annotations

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Descriptor Annotations

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