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Chemical ID: 3861010
Chemical ID:
3861010
Name [?]:
N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-3-methyl-N-(3-morpholinopropyl)benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)N(CCCN2CCOCC2)c3nc(cs3)c4cc(ccc4OC)OC
InChi [?]:
InChI=1/C26H31N3O4S/c1-19-6-4-7-20(16-19)25(30)29(11-5-10-28-12-14-33-15-13-28)26-27-23(18-34-26)22-17-21(31-2)8-9-24(22)32-3/h4,6-9,16-18H,5,10-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,34,32,4,12,3,5,28,29,13,11,15,19,16,18,7,26,23,2,6,27,25,22,30,8,20,21,14,10,9,33,31,17,24/E:(12,13)(14,15)/rA:34nCCCCCCCCONCCCNCCOCCCNCCSCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;s10;d20;s21;d22;s20s23;s22;s25;d26;s27;d28;d25s29;s30;s31;s27;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H31N3O4S |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1871 |
Area: | 710.925 |
Solvation: | -6.58599 |
Coulombic: | -50.8889 |
Bond Count [?]
All: | 37 |
Single: | 28 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 481.608 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 4.05 |
LogP (Chemaxon): | 3.87 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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