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Chemical ID: 6003101
Chemical ID:
6003101
Name [?]:
N-[(4-methylthiazol-2-yl)carbamoylmethyl]-N-pentyl-cyclohexanecarboxamide
SMILES [?]:
CCCCCN(CC(=O)Nc1nc(cs1)C)C(=O)C2CCCCC2
InChi [?]:
InChI=1/C18H29N3O2S/c1-3-4-8-11-21(17(23)15-9-6-5-7-10-15)12-16(22)20-18-19-14(2)13-24-18/h13,15H,3-12H2,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,16,2,3,22,21,23,4,20,24,5,7,14,13,19,8,17,11,12,10,6,9,18,15/E:(6,7)(9,10)/rA:24nCCCCCNCCONCNCCSCCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s13;s6;d17;s17;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H29N3O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8088 |
Area: | 583.91 |
Solvation: | -3.78898 |
Coulombic: | -42.018 |
Bond Count [?]
All: | 25 |
Single: | 21 |
Double: | 4 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 351.508 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.54 |
LogP (Chemaxon): | 3.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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