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Chemical ID: 6030521
Chemical ID:
6030521
Name [?]:
N-[[4-[(2-fluorophenyl)carbamoylmethyl]thiazol-2-yl]carbamoylmethyl]-N-isopropyl-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)N(CC(=O)Nc2nc(cs2)CC(=O)Nc3ccccc3F)C(C)C
InChi [?]:
InChI=1/C24H25FN4O3S/c1-15(2)29(23(32)17-10-8-16(3)9-11-17)13-22(31)28-24-26-18(14-33-24)12-21(30)27-20-7-5-4-6-19(20)25/h4-11,14-15H,12-13H2,1-3H3,(H,27,30)(H,26,28,31)
InChi Info:
AuxInfo=1/1/N:32,33,1,27,26,28,25,3,7,4,6,20,11,18,31,2,5,17,29,24,21,12,8,15,30,16,23,14,10,22,13,9,19/E:(1,2)(8,9)(10,11)/rA:33nCCCCCCCCONCCONCNCCSCCONCCCCCCFCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s12;s14;d15;s16;d17;s15s18;s17;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;s29;s10;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25FN4O3S |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3085 |
Area: | 692.033 |
Solvation: | -5.99235 |
Coulombic: | -66.9308 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 468.545 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.47 |
LogP (Chemaxon): | 3.81 |
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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Chemical Mix | Source | External ID | Descriptor | Value |
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