Chemical ID: 6153021

CCCCCCOc1ccc(cc1)NC(=O)C2CC(=O)N(C(=Nc3ccc(c(c3)C)C)S2)C
Chemical ID:
6153021
Name [?]:
2-(3,4-dimethylphenyl)imino-N-(4-hexoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
CCCCCCOc1ccc(cc1)NC(=O)C2CC(=O)N(C(=Nc3ccc(c(c3)C)C)S2)C
InChi [?]:
InChI=1/C26H33N3O3S/c1-5-6-7-8-15-32-22-13-11-20(12-14-22)27-25(31)23-17-24(30)29(4)26(33-23)28-21-10-9-18(2)19(3)16-21/h9-14,16,23H,5-8,15,17H2,1-4H3,(H,27,31)
InChi Info:
AuxInfo=1/1/N:1,31,30,33,2,3,4,5,26,25,10,12,9,13,6,29,18,27,28,11,24,8,17,19,15,22,14,23,21,20,16,7,32/E:(11,12)(13,14)/rA:33cCCCCCCOCCCCCCNCOCCCONCNCCCCCCCCSC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;s18;d19;s19;s21;w22;s23;s24;d25;s26;d27;d24s28;s28;s27;s17s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H33N3O3S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:13.9915
Area:739.92
Solvation:-4.50652
Coulombic:-50.3255
Bond Count [?]
All:35
Single:26
Double:9
Rotors:10
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:467.625
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.14
LogP (Chemaxon):6.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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