Chemical ID: 6135223

COc1ccc(cc1)CN2C(=O)CC(SC2=Nc3ccc(cc3)OC)C(=O)Nc4ccccc4F
Chemical ID:
6135223
Name [?]:
N-(2-fluorophenyl)-2-(4-methoxyphenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
COc1ccc(cc1)CN2C(=O)CC(SC2=Nc3ccc(cc3)OC)C(=O)Nc4ccccc4F
InChi [?]:
InChI=1/C26H24FN3O4S/c1-33-19-11-7-17(8-12-19)16-30-24(31)15-23(25(32)29-22-6-4-3-5-21(22)27)35-26(30)28-18-9-13-20(34-2)14-10-18/h3-14,23H,15-16H2,1-2H3,(H,29,32)
InChi Info:
AuxInfo=1/1/N:1,25,32,31,33,30,5,7,19,23,4,8,20,22,13,9,6,18,3,21,34,29,14,11,26,16,35,17,28,10,12,27,2,24,15/E:(7,8)(9,10)(11,12)(13,14)/rA:35cCOCCCCCCCNCOCCSCNCCCCCCOCCONCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;s10s15;w16;s17;s18;d19;s20;d21;d18s22;s21;s24;s14;d26;s26;s28;s29;d30;s31;d32;d29s33;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H24FN3O4S
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:10.835
Area:702.221
Solvation:-6.72049
Coulombic:-61.2519
Bond Count [?]
All:38
Single:26
Double:12
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:493.551
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.56
LogP (Chemaxon):4.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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