Chemical ID: 4848263

CCCCCCOc1ccc(cc1)NC(=O)C2CC(=O)N(C(=Nc3ccccc3OC)S2)CC
Chemical ID:
4848263
Name [?]:
3-ethyl-N-(4-hexoxyphenyl)-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
CCCCCCOc1ccc(cc1)NC(=O)C2CC(=O)N(C(=Nc3ccccc3OC)S2)CC
InChi [?]:
InChI=1/C26H33N3O4S/c1-4-6-7-10-17-33-20-15-13-19(14-16-20)27-25(31)23-18-24(30)29(5-2)26(34-23)28-21-11-8-9-12-22(21)32-3/h8-9,11-16,23H,4-7,10,17-18H2,1-3H3,(H,27,31)
InChi Info:
AuxInfo=1/1/N:1,34,31,2,33,3,4,26,27,5,25,28,10,12,9,13,6,18,11,8,24,29,17,19,15,22,14,23,21,20,16,30,7,32/E:(13,14)(15,16)/rA:34cCCCCCCOCCCCCCNCOCCCONCNCCCCCCOCSCC/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;s29;s30;s17s22;s21;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H33N3O4S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:12.555
Area:750.56
Solvation:-6.20901
Coulombic:-57.4544
Bond Count [?]
All:36
Single:27
Double:9
Rotors:12
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:483.624
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.6
LogP (Chemaxon):5.71

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue