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Chemical ID: 6007482
Chemical ID:
6007482
Name [?]:
N-[(5-methylthiazol-2-yl)carbamoylmethyl]-N-pentyl-cyclobutanecarboxamide
SMILES [?]:
CCCCCN(CC(=O)Nc1ncc(s1)C)C(=O)C2CCC2
InChi [?]:
InChI=1/C16H25N3O2S/c1-3-4-5-9-19(15(21)13-7-6-8-13)11-14(20)18-16-17-10-12(2)22-16/h10,13H,3-9,11H2,1-2H3,(H,17,18,20)
InChi Info:
AuxInfo=1/1/N:1,16,2,3,4,21,20,22,5,13,7,14,19,8,17,11,12,10,6,9,18,15/E:(7,8)/rA:22nCCCCCNCCONCNCCSCCOCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s14;s6;d17;s17;s19;s20;s19s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25N3O2S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.87933 |
Area: | 556.262 |
Solvation: | -4.02721 |
Coulombic: | -41.335 |
Bond Count [?]
All: | 23 |
Single: | 19 |
Double: | 4 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 323.455 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.71 |
LogP (Chemaxon): | 2.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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