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Chemical ID: 6007453
Chemical ID:
6007453
Name [?]:
N-[(5-methylthiazol-2-yl)carbamoylmethyl]-N-pentyl-cyclopropanecarboxamide
SMILES [?]:
CCCCCN(CC(=O)Nc1ncc(s1)C)C(=O)C2CC2
InChi [?]:
InChI=1/C15H23N3O2S/c1-3-4-5-8-18(14(20)12-6-7-12)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:1,16,2,3,4,20,21,5,13,7,14,19,8,17,11,12,10,6,9,18,15/E:(6,7)/rA:21nCCCCCNCCONCNCCSCCOCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s14;s6;d17;s17;s19;s19s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23N3O2S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.63745 |
Area: | 547.005 |
Solvation: | -4.03767 |
Coulombic: | -40.9678 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
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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