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Chemical ID: 3860913
Chemical ID:
3860913
Name [?]:
N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-N-(2-methoxyethyl)-2-phenoxy-acetamide
SMILES [?]:
COCCN(c1nc(cs1)c2cc(ccc2OC)OC)C(=O)COc3ccccc3
InChi [?]:
InChI=1/C22H24N2O5S/c1-26-12-11-24(21(25)14-29-16-7-5-4-6-8-16)22-23-19(15-30-22)18-13-17(27-2)9-10-20(18)28-3/h4-10,13,15H,11-12,14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,18,28,27,29,26,30,14,15,4,3,12,23,9,25,13,11,8,16,21,6,7,5,22,2,19,17,24,10/E:(5,6)(7,8)/rA:30nCOCCNCNCCSCCCCCCOCOCCOCOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s6s9;s8;s11;d12;s13;d14;d11s15;s16;s17;s13;s19;s5;d21;s21;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24N2O5S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.01116 |
Area: | 653.35 |
Solvation: | -9.32261 |
Coulombic: | -50.5474 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 428.502 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.29 |
LogP (Chemaxon): | 3.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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