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Chemical ID: 6269147
Chemical ID:
6269147
Name [?]:
N-[4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)thiazol-2-yl]-2-methyl-propanamide
SMILES [?]:
CC(C)C(=O)Nc1nc(cs1)c2ccc3c(c2)OCCO3
InChi [?]:
InChI=1/C15H16N2O3S/c1-9(2)14(18)17-15-16-11(8-21-15)10-3-4-12-13(7-10)20-6-5-19-12/h3-4,7-9H,5-6H2,1-2H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,13,14,20,19,17,10,2,12,9,15,16,4,7,8,6,5,21,18,11/E:(1,2)/rA:21nCCCCONCNCCSCCCCCCOCCO/rB:s1;s2;s2;d4;s4;s6;d7;s8;d9;s7s10;s9;s12;d13;s14;d15;d12s16;s16;s18;s19;s15s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16N2O3S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.35268 |
Area: | 491.372 |
Solvation: | -3.93162 |
Coulombic: | -42.2391 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 304.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.28 |
LogP (Chemaxon): | 3.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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