Chemical ID: 5644558

CCOc1ccc2c(c1)sc(n2)NC(=O)c3ccccc3Br
Chemical ID:
5644558
Name [?]:
2-bromo-N-(6-ethoxybenzothiazol-2-yl)-benzamide
SMILES [?]:
CCOc1ccc2c(c1)sc(n2)NC(=O)c3ccccc3Br
InChi [?]:
InChI=1/C16H13BrN2O2S/c1-2-21-10-7-8-13-14(9-10)22-16(18-13)19-15(20)11-5-3-4-6-12(11)17/h3-9H,2H2,1H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,18,19,17,20,5,6,9,4,16,21,7,8,14,11,22,12,13,15,3,10/rA:22nCCOCCCCCCSCNNCOCCCCCCBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s7d11;s11;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13BrN2O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.32526
Area:522.471
Solvation:-3.73652
Coulombic:-34.7679
Bond Count [?]
All:24
Single:16
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:377.257
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.04
LogP (Chemaxon):5.02

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