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Chemical ID: 6007414
Chemical ID:
6007414
Name [?]:
N-[(4,5-dimethylthiazol-2-yl)carbamoylmethyl]-3-fluoro-N-tert-butyl-benzamide
SMILES [?]:
Cc1c(sc(n1)NC(=O)CN(C(=O)c2cccc(c2)F)C(C)(C)C)C
InChi [?]:
InChI=1/C18H22FN3O2S/c1-11-12(2)25-17(20-11)21-15(23)10-22(18(3,4)5)16(24)13-7-6-8-14(19)9-13/h6-9H,10H2,1-5H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,25,22,23,24,16,15,17,19,10,2,3,14,18,8,12,5,21,20,6,7,11,9,13,4/E:(3,4,5)/rA:25nCCCSCNNCOCNCOCCCCCCFCCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s11;s21;s21;s21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22FN3O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.01029 |
Area: | 549.25 |
Solvation: | -4.72096 |
Coulombic: | -45.1611 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 363.451 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.74 |
LogP (Chemaxon): | 2.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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