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Chemical ID: 7317731
Chemical ID:
7317731
Name [?]:
N-[2-[[4-(4-ethylphenyl)thiazol-2-yl]carbamoyl]ethyl]furan-2-carboxamide
SMILES [?]:
CCc1ccc(cc1)c2csc(n2)NC(=O)CCNC(=O)c3ccco3
InChi [?]:
InChI=1/C19H19N3O3S/c1-2-13-5-7-14(8-6-13)15-12-26-19(21-15)22-17(23)9-10-20-18(24)16-4-3-11-25-16/h3-8,11-12H,2,9-10H2,1H3,(H,20,24)(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,24,23,4,8,5,7,17,18,25,10,3,6,9,22,15,20,12,19,13,14,16,21,26,11/E:(5,6)(7,8)/rA:26nCCCCCCCCCCSCNNCOCCNCOCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;s18;s19;d20;s20;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19N3O3S |
All Atoms: | 45 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2334 |
Area: | 612.271 |
Solvation: | -4.07338 |
Coulombic: | -56.5321 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 369.439 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.76 |
LogP (Chemaxon): | 3.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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