Chemical ID: 7433349

c1ccc(cc1)Cc2cnc(s2)NC(=O)c3ccc4c(c3)OCCO4
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

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Descriptor Annotations

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