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Chemical ID: 6030569
Chemical ID:
6030569
Name [?]:
N-[[4-[(4-fluorophenyl)carbamoylmethyl]thiazol-2-yl]carbamoylmethyl]-N-isopropyl-cyclohexanecarboxamide
SMILES [?]:
CC(C)N(CC(=O)Nc1nc(cs1)CC(=O)Nc2ccc(cc2)F)C(=O)C3CCCCC3
InChi [?]:
InChI=1/C23H29FN4O3S/c1-15(2)28(22(31)16-6-4-3-5-7-16)13-21(30)27-23-26-19(14-32-23)12-20(29)25-18-10-8-17(24)9-11-18/h8-11,14-16H,3-7,12-13H2,1-2H3,(H,25,29)(H,26,27,30)
InChi Info:
AuxInfo=1/1/N:1,3,30,29,31,28,32,20,22,19,23,14,5,12,2,27,21,18,11,15,6,25,9,24,17,10,8,4,16,7,26,13/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:32nCCCNCCONCNCCSCCONCCCCCCFCOCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s11;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;s4;d25;s25;s27;s28;s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H29FN4O3S |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4514 |
Area: | 678.689 |
Solvation: | -6.51577 |
Coulombic: | -63.3437 |
Bond Count [?]
All: | 34 |
Single: | 26 |
Double: | 8 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 460.566 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.23 |
LogP (Chemaxon): | 4.14 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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