3-(5-{3-chloro-4-[(4-chloronaphthalen-1-yl)oxy]anilino}-1,3,4-thiadiazol-2-yl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(5-{3-chloro-4-[(4-chloronaphthalen-1-yl)oxy]anilino}-1,3,4-thiadiazol-2-yl)-2H-1-benzopyran-2-one
3-(5-{3-chloro-4-[(4-chloronaphthalen-1-yl)oxy]anilino}-1,3,4-thiadiazol-2-yl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K231-0077 |
| Compound Name: | 3-(5-{3-chloro-4-[(4-chloronaphthalen-1-yl)oxy]anilino}-1,3,4-thiadiazol-2-yl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 532.4 |
| Molecular Formula: | C27 H15 Cl2 N3 O3 S |
| Smiles: | C1=C(C(=O)Oc2ccccc12)c1nnc(Nc2ccc(c(c2)[Cl])Oc2ccc(c3ccccc23)[Cl])s1 |
| Stereo: | ACHIRAL |
| logP: | 8.1526 |
| logD: | 8.1526 |
| logSw: | -6.9074 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.995 |
| InChI Key: | OFZWKSISQQHDLE-UHFFFAOYSA-N |