Chemical ID: 6269147

CC(C)C(=O)Nc1nc(cs1)c2ccc3c(c2)OCCO3
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

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Descriptor Annotations

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