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Chemical ID: 6033392
Chemical ID:
6033392
Name [?]:
N-cyclopropyl-4-fluoro-N-[[4-[(4-fluorophenyl)methylcarbamoylmethyl]thiazol-2-yl]carbamoylmethyl]benzamide
SMILES [?]:
c1cc(ccc1CNC(=O)Cc2csc(n2)NC(=O)CN(C3CC3)C(=O)c4ccc(cc4)F)F
InChi [?]:
InChI=1/C24H22F2N4O3S/c25-17-5-1-15(2-6-17)12-27-21(31)11-19-14-34-24(28-19)29-22(32)13-30(20-9-10-20)23(33)16-3-7-18(26)8-4-16/h1-8,14,20H,9-13H2,(H,27,31)(H,28,29,32)
InChi Info:
AuxInfo=1/1/N:1,5,28,32,2,4,29,31,23,24,11,7,20,13,6,27,3,30,12,22,9,18,25,15,34,33,8,16,17,21,10,19,26,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:34nCCCCCCCNCOCCCSCNNCOCNCCCCOCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;d12;s13;s14;s12d15;s15;s17;d18;s18;s20;s21;s22;s22s23;s21;d25;s25;s27;d28;s29;d30;d27s31;s30;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22F2N4O3S |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.409 |
Area: | 706.744 |
Solvation: | -7.25958 |
Coulombic: | -69.3983 |
Bond Count [?]
All: | 37 |
Single: | 26 |
Double: | 11 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 484.519 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.0 |
LogP (Chemaxon): | 3.4 |
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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