Chemical ID: 6275158

COc1ccc2c(c1)sc(=NC(=O)c3cc4ccccc4oc3=O)n2CC=C
Chemical ID:
6275158
Name [?]:
N-(3-allyl-6-methoxy-benzothiazol-2-ylidene)-2-oxo-chromene-3-carboxamide
SMILES [?]:
COc1ccc2c(c1)sc(=NC(=O)c3cc4ccccc4oc3=O)n2CC=C
InChi [?]:
InChI=1/C21H16N2O4S/c1-3-10-23-16-9-8-14(26-2)12-18(16)28-21(23)22-19(24)15-11-13-6-4-5-7-17(13)27-20(15)25/h3-9,11-12H,1,10H2,2H3
InChi Info:
AuxInfo=1/0/N:28,1,27,18,19,17,20,4,5,26,15,8,16,3,14,6,21,7,12,23,10,11,25,13,24,2,22,9/rA:28nCOCCCCCCSCNCOCCCCCCCCOCONCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;w10;s11;d12;s12;d14;s15;s16;d17;s18;d19;d16s20;s21;s14s22;d23;s6s10;s25;s26;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H16N2O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.92929
Area:593.043
Solvation:-4.89679
Coulombic:-50.4711
Bond Count [?]
All:31
Single:20
Double:11
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:392.429
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.05
LogP (Chemaxon):5.18

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