Chemical ID: 5940774

CC(CC(=O)N(CCCOC)Cc1nc(cs1)C(=O)NCCCOC)CC(C)(C)C
Chemical ID:
5940774
Name [?]:
N-(3-methoxypropyl)-2-[(3-methoxypropyl-(3,5,5-trimethylhexanoyl)amino)methyl]thiazole-4-carboxamide
SMILES [?]:
CC(CC(=O)N(CCCOC)Cc1nc(cs1)C(=O)NCCCOC)CC(C)(C)C
InChi [?]:
InChI=1/C22H39N3O4S/c1-17(14-22(2,3)4)13-20(26)25(10-8-12-29-6)15-19-24-18(16-30-19)21(27)23-9-7-11-28-5/h16-17H,7-15H2,1-6H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,28,29,30,25,11,22,8,21,7,23,9,3,26,12,16,2,15,13,4,18,27,20,14,6,5,19,24,10,17/E:(2,3,4)/rA:30cCCCCONCCCOCCCNCCSCONCCCOCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s6;s12;d13;s14;d15;s13s16;s15;d18;s18;s20;s21;s22;s23;s24;s2;s26;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H39N3O4S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.7978
Area:751.553
Solvation:-5.99104
Coulombic:-60.174
Bond Count [?]
All:30
Single:26
Double:4
Rotors:17
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:441.629
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.41
LogP (Chemaxon):1.83

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Descriptor Annotations

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