Chemical ID: 4651276

CN1C(=O)CC(SC1=Nc2ccccc2)C(=O)Nc3cccc(c3)OC
Chemical ID:
4651276
Name [?]:
N-(3-methoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
SMILES [?]:
CN1C(=O)CC(SC1=Nc2ccccc2)C(=O)Nc3cccc(c3)OC
InChi [?]:
InChI=1/C19H19N3O3S/c1-22-17(23)12-16(26-19(22)21-13-7-4-3-5-8-13)18(24)20-14-9-6-10-15(11-14)25-2/h3-11,16H,12H2,1-2H3,(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,26,13,12,14,21,11,15,20,22,24,5,10,19,23,6,3,16,8,18,9,2,4,17,25,7/E:(4,5)(7,8)/rA:26cCNCOCCSCNCCCCCCCONCCCCCCOC/rB:s1;s2;d3;s3;s5;s6;s2s7;w8;s9;s10;d11;s12;d13;d10s14;s6;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19N3O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:9.2409
Area:564.837
Solvation:-4.88003
Coulombic:-48.9615
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:369.439
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.77
LogP (Chemaxon):3.62

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Descriptor Annotations

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