Chemical ID: 6264108

c1cc2c(c(c1)Cl)nc(s2)NC(=O)c3ccc4c(c3)OCCO4
Chemical ID:
6264108
Name [?]:
N-(4-chlorobenzothiazol-2-yl)-2,5-dioxabicyclo[4.4.0]deca-7,9,11-triene-8-carboxamide
SMILES [?]:
c1cc2c(c(c1)Cl)nc(s2)NC(=O)c3ccc4c(c3)OCCO4
InChi [?]:
InChI=1/C16H11ClN2O3S/c17-10-2-1-3-13-14(10)18-16(23-13)19-15(20)9-4-5-11-12(8-9)22-7-6-21-11/h1-5,8H,6-7H2,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,6,2,15,16,22,21,19,14,5,17,18,3,4,12,9,7,8,11,13,23,20,10/rA:23nCCCCCCClNCSNCOCCCCCCOCCO/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;s3s9;s9;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s20;s21;s17s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11ClN2O3S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.28233
Area:521.207
Solvation:-3.74784
Coulombic:-44.412
Bond Count [?]
All:26
Single:18
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:346.789
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.14
LogP (Chemaxon):3.97

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