Chemical ID: 6275328

CCOc1ccc(cc1)C(=O)N=c2n(c3ccc(cc3s2)OCC)CC=C
Chemical ID:
6275328
Name [?]:
N-(3-allyl-6-ethoxy-benzothiazol-2-ylidene)-4-ethoxy-benzamide
SMILES [?]:
CCOc1ccc(cc1)C(=O)N=c2n(c3ccc(cc3s2)OCC)CC=C
InChi [?]:
InChI=1/C21H22N2O3S/c1-4-13-23-18-12-11-17(26-6-3)14-19(18)27-21(23)22-20(24)15-7-9-16(10-8-15)25-5-2/h4,7-12,14H,1,5-6,13H2,2-3H3
InChi Info:
AuxInfo=1/0/N:27,1,24,26,2,23,6,8,5,9,17,16,25,19,7,4,18,15,20,10,13,12,14,11,3,22,21/E:(7,8)(9,10)/rA:27nCCOCCCCCCCONCNCCCCCCSOCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;w12;s13;s14;s15;d16;s17;d18;d15s19;s13s20;s18;s22;s23;s14;s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.9502
Area:601.217
Solvation:-4.08024
Coulombic:-40.8188
Bond Count [?]
All:29
Single:20
Double:9
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:382.477
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.14
LogP (Chemaxon):5.54

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