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Chemical ID: 5908414
Chemical ID:
5908414
Name [?]:
3,5,5-trimethyl-N-[(4-phenylthiazol-2-yl)carbamoylmethyl]-N-propyl-hexanamide
SMILES [?]:
CCCN(CC(=O)Nc1nc(cs1)c2ccccc2)C(=O)CC(C)CC(C)(C)C
InChi [?]:
InChI=1/C23H33N3O2S/c1-6-12-26(21(28)13-17(2)14-23(3,4)5)15-20(27)25-22-24-19(16-29-22)18-10-8-7-9-11-18/h7-11,16-17H,6,12-15H2,1-5H3,(H,24,25,27)
InChi Info:
AuxInfo=1/1/N:1,24,27,28,29,2,17,16,18,15,19,3,22,25,5,12,23,14,11,6,20,9,26,10,8,4,7,21,13/E:(3,4,5)(8,9)(10,11)/rA:29cCCCNCCONCNCCSCCCCCCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s11;s14;d15;s16;d17;d14s18;s4;d20;s20;s22;s23;s23;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H33N3O2S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.2936 |
Area: | 682.173 |
Solvation: | -3.7607 |
Coulombic: | -44.6747 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 415.593 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.79 |
LogP (Chemaxon): | 5.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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