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Chemical ID: 6135440
Chemical ID:
6135440
Name [?]:
N-(3-chlorophenyl)-3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
SMILES [?]:
c1ccc(cc1)N=C2N(C(=O)CC(S2)C(=O)Nc3cccc(c3)Cl)Cc4ccc(cc4)F
InChi [?]:
InChI=1/C24H19ClFN3O2S/c25-17-5-4-8-20(13-17)27-23(31)21-14-22(30)29(15-16-9-11-18(26)12-10-16)24(32-21)28-19-6-2-1-3-7-19/h1-13,21H,14-15H2,(H,27,31)
InChi Info:
AuxInfo=1/1/N:1,2,6,20,21,3,5,19,27,31,28,30,23,12,25,26,22,29,4,18,13,10,15,8,24,32,17,7,9,11,16,14/E:(2,3)(6,7)(9,10)(11,12)/rA:32cCCCCCCNCNCOCCSCONCCCCCCClCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;s12;s8s13;s13;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;s9;s25;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H19ClFN3O2S |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.1342 |
Area: | 659.954 |
Solvation: | -4.36461 |
Coulombic: | -48.0912 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 467.944 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.35 |
LogP (Chemaxon): | 6.31 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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