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Chemical ID: 5908378
Chemical ID:
5908378
Name [?]:
N-isobutyl-N-[(4-phenylthiazol-2-yl)carbamoylmethyl]cyclopentanecarboxamide
SMILES [?]:
CC(C)CN(CC(=O)Nc1nc(cs1)c2ccccc2)C(=O)C3CCCC3
InChi [?]:
InChI=1/C21H27N3O2S/c1-15(2)12-24(20(26)17-10-6-7-11-17)13-19(25)23-21-22-18(14-27-21)16-8-4-3-5-9-16/h3-5,8-9,14-15,17H,6-7,10-13H2,1-2H3,(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,3,18,17,19,25,26,16,20,24,27,4,6,13,2,15,23,12,7,21,10,11,9,5,8,22,14/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:27nCCCCNCCONCNCCSCCCCCCCOCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s12;s15;d16;s17;d18;d15s19;s5;d21;s21;s23;s24;s25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H27N3O2S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2854 |
Area: | 609.357 |
Solvation: | -3.94851 |
Coulombic: | -43.7108 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 385.524 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.85 |
LogP (Chemaxon): | 4.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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