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Chemical ID: 3860911
Chemical ID:
3860911
Name [?]:
N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-N-(2-methoxyethyl)-4-tert-butyl-benzamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)C(=O)N(CCOC)c2nc(cs2)c3cc(ccc3OC)OC
InChi [?]:
InChI=1/C25H30N2O4S/c1-25(2,3)18-9-7-17(8-10-18)23(28)27(13-14-29-4)24-26-21(16-32-24)20-15-19(30-5)11-12-22(20)31-6/h7-12,15-16H,13-14H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,4,17,32,30,7,9,6,10,26,27,14,15,24,21,8,5,25,23,20,28,11,18,2,19,13,12,16,31,29,22/E:(1,2,3)(7,8)(9,10)/rA:32nCCCCCCCCCCCONCCOCCNCCSCCCCCCOCOC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;s15;s16;s13;d18;s19;d20;s18s21;s20;s23;d24;s25;d26;d23s27;s28;s29;s25;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H30N2O4S |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.95669 |
Area: | 669.202 |
Solvation: | -7.77335 |
Coulombic: | -43.5343 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 454.583 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.43 |
LogP (Chemaxon): | 5.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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