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Chemical ID: 6007193
Chemical ID:
6007193
Name [?]:
N-(3-ethoxypropyl)-N-[(4-methylthiazol-2-yl)carbamoylmethyl]cyclopentanecarboxamide
SMILES [?]:
CCOCCCN(CC(=O)Nc1nc(cs1)C)C(=O)C2CCCC2
InChi [?]:
InChI=1/C17H27N3O3S/c1-3-23-10-6-9-20(16(22)14-7-4-5-8-14)11-15(21)19-17-18-13(2)12-24-17/h12,14H,3-11H2,1-2H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,17,2,22,23,5,21,24,6,4,8,15,14,20,9,18,12,13,11,7,10,19,3,16/E:(4,5)(7,8)/rA:24nCCOCCCNCCONCNCCSCCOCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s14;s7;d18;s18;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H27N3O3S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.49833 |
Area: | 591.986 |
Solvation: | -5.30131 |
Coulombic: | -48.3418 |
Bond Count [?]
All: | 25 |
Single: | 21 |
Double: | 4 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 353.481 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.65 |
LogP (Chemaxon): | 1.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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