Chemical ID: 6135332

CCOc1cccc(c1)NC(=O)C2CC(=O)N(C(=Nc3ccc(cc3)F)S2)CCc4ccccc4
Chemical ID:
6135332
Name [?]:
N-(3-ethoxyphenyl)-2-(4-fluorophenyl)imino-4-oxo-3-phenethyl-1,3-thiazinane-6-carboxamide
SMILES [?]:
CCOc1cccc(c1)NC(=O)C2CC(=O)N(C(=Nc3ccc(cc3)F)S2)CCc4ccccc4
InChi [?]:
InChI=1/C27H26FN3O3S/c1-2-34-23-10-6-9-22(17-23)29-26(33)24-18-25(32)31(16-15-19-7-4-3-5-8-19)27(35-24)30-21-13-11-20(28)12-14-21/h3-14,17,24H,2,15-16,18H2,1H3,(H,29,33)
InChi Info:
AuxInfo=1/1/N:1,2,33,32,34,6,31,35,7,5,22,24,21,25,29,28,9,14,30,23,20,8,4,13,15,11,18,26,10,19,17,16,12,3,27/E:(4,5)(7,8)(11,12)(13,14)/rA:35cCCOCCCCCCNCOCCCONCNCCCCCCFSCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s13;s14;d15;s15;s17;w18;s19;s20;d21;s22;d23;d20s24;s23;s13s18;s17;s28;s29;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H26FN3O3S
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:12.0826
Area:711.688
Solvation:-5.70964
Coulombic:-54.1479
Bond Count [?]
All:38
Single:26
Double:12
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:491.578
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.23
LogP (Chemaxon):6.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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