Chemical ID: 5908414

CCCN(CC(=O)Nc1nc(cs1)c2ccccc2)C(=O)CC(C)CC(C)(C)C
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

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Descriptor Annotations

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