Chemical ID: 7047708

CCCOc1ccc2cc(c(=O)oc2c1)C(=O)Nc3nc4c(s3)CC(CC4)C
Chemical ID:
7047708
Name [?]:
N-(6-methyl-4,5,6,7-tetrahydrobenzothiazol-2-yl)-2-oxo-7-propoxy-chromene-3-carboxamide
SMILES [?]:
CCCOc1ccc2cc(c(=O)oc2c1)C(=O)Nc3nc4c(s3)CC(CC4)C
InChi [?]:
InChI=1/C21H22N2O4S/c1-3-8-26-14-6-5-13-10-15(20(25)27-17(13)11-14)19(24)23-21-22-16-7-4-12(2)9-18(16)28-21/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,28,2,26,7,6,27,3,24,9,15,25,8,5,10,21,14,22,16,11,19,20,18,17,12,4,13,23/rA:28cCCCOCCCCCCCOOCCCONCNCCSCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s11;d8s13;d5s14;s10;d16;s16;s18;d19;s20;d21;s19s22;s22;s24;s25;s21s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2O4S
All Atoms:50
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:9.81618
Area:623.879
Solvation:-5.7808
Coulombic:-50.7936
Bond Count [?]
All:31
Single:23
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:398.476
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.01
LogP (Chemaxon):4.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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