Chemical ID: 6136712

c1ccc(cc1)CCCN2C(=O)CC(SC2=Nc3cccc(c3)Cl)C(=O)Nc4ccccc4
Chemical ID:
6136712
Name [?]:
2-(3-chlorophenyl)imino-4-oxo-N-phenyl-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide
SMILES [?]:
c1ccc(cc1)CCCN2C(=O)CC(SC2=Nc3cccc(c3)Cl)C(=O)Nc4ccccc4
InChi [?]:
InChI=1/C26H24ClN3O2S/c27-20-12-7-15-22(17-20)29-26-30(16-8-11-19-9-3-1-4-10-19)24(31)18-23(33-26)25(32)28-21-13-5-2-6-14-21/h1-7,9-10,12-15,17,23H,8,11,16,18H2,(H,28,32)
InChi Info:
AuxInfo=1/1/N:1,31,2,6,30,32,20,8,3,5,7,21,29,33,19,9,23,13,4,22,28,18,14,11,25,16,24,27,17,10,12,26,15/E:(3,4)(5,6)(9,10)(13,14)/rA:33cCCCCCCCCCNCOCCSCNCCCCCCClCONCCCCCC/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;s27;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H24ClN3O2S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:13.9453
Area:710.58
Solvation:-3.81924
Coulombic:-44.943
Bond Count [?]
All:36
Single:24
Double:12
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:478.006
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.71
LogP (Chemaxon):6.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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