N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(6-chloro-7-methoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamide
Chemical Structure Depiction of
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(6-chloro-7-methoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamide
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(6-chloro-7-methoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamide
Compound characteristics
| Compound ID: | Y042-4007 |
| Compound Name: | N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(6-chloro-7-methoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamide |
| Molecular Weight: | 421.9 |
| Molecular Formula: | C19 H20 Cl N3 O4 S |
| Smiles: | CC1=C(CC(Nc2nnc(C(C)(C)C)s2)=O)C(=O)Oc2cc(c(cc12)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 4.6726 |
| logD: | 4.6234 |
| logSw: | -4.8751 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.213 |
| InChI Key: | MVGFLRDTKDEGHS-UHFFFAOYSA-N |