Chemical ID: 6936194

Cc1ccc2c(c1)sc(n2)NC(=O)c3ccccc3OC(=O)C
Chemical ID:
6936194
Name [?]:
[2-[(6-methylbenzothiazol-2-yl)carbamoyl]phenyl] acetate
SMILES [?]:
Cc1ccc2c(c1)sc(n2)NC(=O)c3ccccc3OC(=O)C
InChi [?]:
InChI=1/C17H14N2O3S/c1-10-7-8-13-15(9-10)23-17(18-13)19-16(21)12-5-3-4-6-14(12)22-11(2)20/h3-9H,1-2H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,23,16,17,15,18,3,4,7,2,21,14,5,19,6,12,9,10,11,22,13,20,8/rA:23nCCCCCCCSCNNCOCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5d9;s9;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14N2O3S
All Atoms:37
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.39609
Area:519.039
Solvation:-3.57989
Coulombic:-44.8174
Bond Count [?]
All:25
Single:16
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:326.371
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.12
LogP (Chemaxon):4.1

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