2-(6-chloro-7-methoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
Chemical Structure Depiction of
2-(6-chloro-7-methoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
2-(6-chloro-7-methoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
Compound characteristics
| Compound ID: | Y042-4002 |
| Compound Name: | 2-(6-chloro-7-methoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide |
| Molecular Weight: | 409.85 |
| Molecular Formula: | C17 H16 Cl N3 O5 S |
| Smiles: | CC1=C(CC(Nc2nnc(COC)s2)=O)C(=O)Oc2cc(c(cc12)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 2.9502 |
| logD: | 2.894 |
| logSw: | -3.6007 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.132 |
| InChI Key: | RANJJJUHQBDTDI-UHFFFAOYSA-N |