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Chemical ID: 6269145
Chemical ID:
6269145
Name [?]:
N-[4-(2,5-dioxabicyclo[4.4.0]deca-6,8,10-trien-8-yl)thiazol-2-yl]cyclopropanecarboxamide
SMILES [?]:
c1cc2c(cc1c3csc(n3)NC(=O)C4CC4)OCCO2
InChi [?]:
InChI=1/C15H14N2O3S/c18-14(9-1-2-9)17-15-16-11(8-21-15)10-3-4-12-13(7-10)20-6-5-19-12/h3-4,7-9H,1-2,5-6H2,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:16,17,1,2,20,19,5,8,15,6,7,3,4,13,10,11,12,14,21,18,9/E:(1,2)/rA:21nCCCCCCCCSCNNCOCCCOCCO/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7d10;s10;s12;d13;s13;s15;s15s16;s4;s18;s19;s3s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14N2O3S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.26474 |
Area: | 489.893 |
Solvation: | -3.98258 |
Coulombic: | -41.8927 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 302.349 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.94 |
LogP (Chemaxon): | 2.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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