Chemical ID: 7047699

CCCOc1ccc2cc(c(=O)oc2c1)C(=O)Nc3nc4c(s3)CCCC4
Chemical ID:
7047699
Name [?]:
2-oxo-7-propoxy-N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)chromene-3-carboxamide
SMILES [?]:
CCCOc1ccc2cc(c(=O)oc2c1)C(=O)Nc3nc4c(s3)CCCC4
InChi [?]:
InChI=1/C20H20N2O4S/c1-2-9-25-13-8-7-12-10-14(19(24)26-16(12)11-13)18(23)22-20-21-15-5-3-4-6-17(15)27-20/h7-8,10-11H,2-6,9H2,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,26,25,27,24,7,6,3,9,15,8,5,10,21,14,22,16,11,19,20,18,17,12,4,13,23/rA:27nCCCOCCCCCCCOOCCCONCNCCSCCCC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O4S
All Atoms:47
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.19868
Area:598.54
Solvation:-5.76482
Coulombic:-50.4834
Bond Count [?]
All:30
Single:22
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:384.45
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.5
LogP (Chemaxon):3.75

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue