Chemical ID: 6136750

Cc1ccc(c(c1)C)NC(=O)C2CC(=O)N(C(=Nc3ccc(cc3)OC)S2)Cc4ccccc4Cl
Chemical ID:
6136750
Name [?]:
3-[(2-chlorophenyl)methyl]-N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)C2CC(=O)N(C(=Nc3ccc(cc3)OC)S2)Cc4ccccc4Cl
InChi [?]:
InChI=1/C27H26ClN3O3S/c1-17-8-13-23(18(2)14-17)30-26(33)24-15-25(32)31(16-19-6-4-5-7-22(19)28)27(35-24)29-20-9-11-21(34-3)12-10-20/h4-14,24H,15-16H2,1-3H3,(H,30,33)
InChi Info:
AuxInfo=1/1/N:1,8,26,31,32,30,33,3,20,24,21,23,4,7,13,28,2,6,29,19,22,34,5,12,14,10,17,35,18,9,16,15,11,25,27/E:(9,10)(11,12)/rA:35cCCCCCCCCNCOCCCONCNCCCCCCOCSCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s22;s25;s12s17;s16;s28;s29;d30;s31;d32;d29s33;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H26ClN3O3S
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:12.6721
Area:711.755
Solvation:-5.1218
Coulombic:-50.3909
Bond Count [?]
All:38
Single:26
Double:12
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:508.032
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.77
LogP (Chemaxon):6.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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