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Chemical ID: 3856028
Chemical ID:
3856028
Name [?]:
N-[4-(4-methoxyphenyl)thiazol-2-yl]-N-(3-methoxypropyl)thiophene-2-carboxamide
SMILES [?]:
COCCCN(c1nc(cs1)c2ccc(cc2)OC)C(=O)c3cccs3
InChi [?]:
InChI=1/C19H20N2O3S2/c1-23-11-4-10-21(18(22)17-5-3-12-25-17)19-20-16(13-26-19)14-6-8-15(24-2)9-7-14/h3,5-9,12-13H,4,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,24,4,23,13,17,14,16,5,3,25,10,12,15,9,22,20,7,8,6,21,2,18,26,11/E:(6,7)(8,9)/rA:26nCOCCCNCNCCSCCCCCCOCCOCCCCS/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s7s10;s9;s12;d13;s14;d15;d12s16;s15;s18;s6;d20;s20;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20N2O3S2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.52373 |
Area: | 593.233 |
Solvation: | -5.30709 |
Coulombic: | -39.332 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 388.506 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.08 |
LogP (Chemaxon): | 3.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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