Chemical ID: 6135736

c1ccc(c(c1)NC(=O)C2CC(=O)N(C(=Nc3ccc(cc3)F)S2)Cc4ccc(cc4)F)Cl
Chemical ID:
6135736
Name [?]:
N-(2-chlorophenyl)-2-(4-fluorophenyl)imino-3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
c1ccc(c(c1)NC(=O)C2CC(=O)N(C(=Nc3ccc(cc3)F)S2)Cc4ccc(cc4)F)Cl
InChi [?]:
InChI=1/C24H18ClF2N3O2S/c25-19-3-1-2-4-20(19)29-23(32)21-13-22(31)30(14-15-5-7-16(26)8-6-15)24(33-21)28-18-11-9-17(27)10-12-18/h1-12,21H,13-14H2,(H,29,32)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,27,31,28,30,19,21,18,22,11,25,26,29,20,17,4,5,10,12,8,15,33,32,23,16,7,14,13,9,24/E:(5,6)(7,8)(9,10)(11,12)/rA:33cCCCCCCNCOCCCONCNCCCCCCFSCCCCCCCFCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s20;s10s15;s14;s25;s26;d27;s28;d29;d26s30;s29;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H18ClF2N3O2S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:11.4147
Area:662.126
Solvation:-5.13848
Coulombic:-51.2177
Bond Count [?]
All:36
Single:24
Double:12
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:485.934
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.51
LogP (Chemaxon):5.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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