Chemical ID: 6271221

COCCn1c2ccc(cc2sc1=NC(=O)c3ccccc3)S(=O)(=O)C
Chemical ID:
6271221
Name [?]:
N-[3-(2-methoxyethyl)-6-methylsulfonyl-benzothiazol-2-ylidene]benzamide
SMILES [?]:
COCCn1c2ccc(cc2sc1=NC(=O)c3ccccc3)S(=O)(=O)C
InChi [?]:
InChI=1/C18H18N2O4S2/c1-24-11-10-20-15-9-8-14(26(2,22)23)12-16(15)25-18(20)19-17(21)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,20,19,21,18,22,8,7,4,3,10,17,9,6,11,15,13,14,5,16,24,25,2,12,23/E:(4,5)(6,7)(22,23)/CRV:26.6/rA:26nCOCCNCCCCCCSCNCOCCCCCCSOOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s5s12;w13;s14;d15;s15;s17;d18;s19;d20;d17s21;s9;d23;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N2O4S2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.67955
Area:567.666
Solvation:-4.51211
Coulombic:-35.3588
Bond Count [?]
All:28
Single:18
Double:10
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:390.479
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.18
LogP (Chemaxon):3.23

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