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Chemical ID: 6001030
Chemical ID:
6001030
Name [?]:
2-fluoro-N-(2-methoxyethyl)-N-(thiazol-2-ylcarbamoylmethyl)benzamide
SMILES [?]:
COCCN(CC(=O)Nc1nccs1)C(=O)c2ccccc2F
InChi [?]:
InChI=1/C15H16FN3O3S/c1-22-8-7-19(10-13(20)18-15-17-6-9-23-15)14(21)11-4-2-3-5-12(11)16/h2-6,9H,7-8,10H2,1H3,(H,17,18,20)
InChi Info:
AuxInfo=1/1/N:1,19,20,18,21,12,4,3,13,6,17,22,7,15,10,23,11,9,5,8,16,2,14/rA:23nCOCCNCCONCNCCSCOCCCCCCF/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s5;d15;s15;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16FN3O3S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.95548 |
Area: | 525.534 |
Solvation: | -8.18287 |
Coulombic: | -50.846 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 337.37 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 0.85 |
LogP (Chemaxon): | 1.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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