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Chemical ID: 6030234
Chemical ID:
6030234
Name [?]:
N-[[4-[(4-fluorophenyl)carbamoylmethyl]thiazol-2-yl]carbamoylmethyl]-N-isobutyl-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)N(CC(C)C)CC(=O)Nc2nc(cs2)CC(=O)Nc3ccc(cc3)F
InChi [?]:
InChI=1/C25H27FN4O3S/c1-16(2)13-30(24(33)18-6-4-17(3)5-7-18)14-23(32)29-25-28-21(15-34-25)12-22(31)27-20-10-8-19(26)9-11-20/h4-11,15-16H,12-14H2,1-3H3,(H,27,31)(H,28,29,32)
InChi Info:
AuxInfo=1/1/N:13,14,1,3,7,4,6,30,32,29,33,24,11,15,22,12,2,5,31,28,21,25,16,8,19,34,27,20,18,10,26,17,9,23/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:34nCCCCCCCCONCCCCCCONCNCCSCCONCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s12;s10;s15;d16;s16;s18;d19;s20;d21;s19s22;s21;s24;d25;s25;s27;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H27FN4O3S |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5579 |
Area: | 726.668 |
Solvation: | -6.60875 |
Coulombic: | -65.7 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 482.571 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.66 |
LogP (Chemaxon): | 4.92 |
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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