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Chemical ID: 6008945
Chemical ID:
6008945
Name [?]:
N-(3-methoxypropyl)-3,3-dimethyl-N-[(4-methylthiazol-2-yl)carbamoylmethyl]butanamide
SMILES [?]:
Cc1csc(n1)NC(=O)CN(CCCOC)C(=O)CC(C)(C)C
InChi [?]:
InChI=1/C16H27N3O3S/c1-12-11-23-15(17-12)18-13(20)10-19(7-6-8-22-5)14(21)9-16(2,3)4/h11H,6-10H2,1-5H3,(H,17,18,20)
InChi Info:
AuxInfo=1/1/N:1,21,22,23,16,13,12,14,19,10,3,2,8,17,5,20,6,7,11,9,18,15,4/E:(2,3,4)/rA:23nCCCSCNNCOCNCCCOCCOCCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s11;d17;s17;s19;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H27N3O3S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.02157 |
Area: | 578.075 |
Solvation: | -5.43029 |
Coulombic: | -48.0391 |
Bond Count [?]
All: | 23 |
Single: | 19 |
Double: | 4 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 341.47 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.82 |
LogP (Chemaxon): | 1.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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