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Chemical ID: 7433349
Chemical ID:
7433349
Name [?]:
N-(5-benzylthiazol-2-yl)-2,5-dioxabicyclo[4.4.0]deca-7,9,11-triene-8-carboxamide
SMILES [?]:
c1ccc(cc1)Cc2cnc(s2)NC(=O)c3ccc4c(c3)OCCO4
InChi [?]:
InChI=1/C19H16N2O3S/c22-18(14-6-7-16-17(11-14)24-9-8-23-16)21-19-20-12-15(25-19)10-13-4-2-1-3-5-13/h1-7,11-12H,8-10H2,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,17,18,24,23,7,21,9,4,16,8,19,20,14,11,10,13,15,25,22,12/E:(2,3)(4,5)/rA:25nCCCCCCCCCNCSNCOCCCCCCOCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;s22;s23;s19s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16N2O3S |
All Atoms: | 41 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.36014 |
Area: | 559.202 |
Solvation: | -4.6199 |
Coulombic: | -43.4205 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 352.408 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.57 |
LogP (Chemaxon): | 3.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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