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 |