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Chemical ID: 6001272
Chemical ID:
6001272
Name [?]:
N-isopropyl-3,5,5-trimethyl-N-[(5-methylthiazol-2-yl)carbamoylmethyl]hexanamide
SMILES [?]:
Cc1cnc(s1)NC(=O)CN(C(C)C)C(=O)CC(C)CC(C)(C)C
InChi [?]:
InChI=1/C18H31N3O2S/c1-12(2)21(16(23)8-13(3)9-18(5,6)7)11-15(22)20-17-19-10-14(4)24-17/h10,12-13H,8-9,11H2,1-7H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:13,14,19,1,22,23,24,17,20,3,10,12,18,2,8,15,5,21,4,7,11,9,16,6/E:(1,2)(5,6,7)/rA:24cCCCNCSNCOCNCCCCOCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;s12;s11;d15;s15;s17;s18;s18;s20;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H31N3O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.8496 |
Area: | 592.963 |
Solvation: | -3.97451 |
Coulombic: | -41.4709 |
Bond Count [?]
All: | 24 |
Single: | 20 |
Double: | 4 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 353.524 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.48 |
LogP (Chemaxon): | 3.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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