Chemical ID: 6136730

c1ccc(cc1)CCCN2C(=O)CC(SC2=Nc3cccc(c3)Cl)C(=O)N
Chemical ID:
6136730
Name [?]:
2-(3-chlorophenyl)imino-4-oxo-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide
SMILES [?]:
c1ccc(cc1)CCCN2C(=O)CC(SC2=Nc3cccc(c3)Cl)C(=O)N
InChi [?]:
InChI=1/C20H20ClN3O2S/c21-15-9-4-10-16(12-15)23-20-24(18(25)13-17(27-20)19(22)26)11-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10,12,17H,5,8,11,13H2,(H2,22,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,20,8,3,5,7,21,19,9,23,13,4,22,18,14,11,25,16,24,27,17,10,12,26,15/E:(2,3)(6,7)/rA:27cCCCCCCCCCNCOCCSCNCCCCCCClCON/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s11;s13;s14;s10s15;w16;s17;s18;d19;s20;d21;d18s22;s22;s14;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20ClN3O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:11.5635
Area:606.588
Solvation:-3.60122
Coulombic:-48.4112
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:401.911
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.62
LogP (Chemaxon):4.41

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Descriptor Annotations

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