ethyl 4-{[5-(3-oxo-3H-naphtho[2,1-b]pyran-2-yl)-1,3,4-thiadiazol-2-yl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[5-(3-oxo-3H-naphtho[2,1-b]pyran-2-yl)-1,3,4-thiadiazol-2-yl]amino}benzoate
ethyl 4-{[5-(3-oxo-3H-naphtho[2,1-b]pyran-2-yl)-1,3,4-thiadiazol-2-yl]amino}benzoate
Compound characteristics
Compound ID: | 2203-2842 |
Compound Name: | ethyl 4-{[5-(3-oxo-3H-naphtho[2,1-b]pyran-2-yl)-1,3,4-thiadiazol-2-yl]amino}benzoate |
Molecular Weight: | 443.48 |
Molecular Formula: | C24 H17 N3 O4 S |
Smiles: | CCOC(c1ccc(cc1)Nc1nnc(C2=Cc3c(ccc4ccccc34)OC2=O)s1)=O |
Stereo: | ACHIRAL |
logP: | 5.8951 |
logD: | 5.8951 |
logSw: | -6.672 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 73.828 |
InChI Key: | CQELCXOEQFPAGA-UHFFFAOYSA-N |