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Chemical ID: 6001375
Chemical ID:
6001375
Name [?]:
N-butyl-N-[(5-methylthiazol-2-yl)carbamoylmethyl]cyclobutanecarboxamide
SMILES [?]:
CCCCN(CC(=O)Nc1ncc(s1)C)C(=O)C2CCC2
InChi [?]:
InChI=1/C15H23N3O2S/c1-3-4-8-18(14(20)12-6-5-7-12)10-13(19)17-15-16-9-11(2)21-15/h9,12H,3-8,10H2,1-2H3,(H,16,17,19)
InChi Info:
AuxInfo=1/1/N:1,15,2,3,20,19,21,4,12,6,13,18,7,16,10,11,9,5,8,17,14/E:(6,7)/rA:21nCCCCNCCONCNCCSCCOCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s13;s5;d16;s16;s18;s19;s18s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23N3O2S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.30748 |
Area: | 532.621 |
Solvation: | -4.00804 |
Coulombic: | -41.0314 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 309.428 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.14 |
LogP (Chemaxon): | 2.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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