3-(5-{3-chloro-4-[(1-chloronaphthalen-2-yl)oxy]anilino}-1,3,4-thiadiazol-2-yl)-7-(diethylamino)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(5-{3-chloro-4-[(1-chloronaphthalen-2-yl)oxy]anilino}-1,3,4-thiadiazol-2-yl)-7-(diethylamino)-2H-1-benzopyran-2-one
3-(5-{3-chloro-4-[(1-chloronaphthalen-2-yl)oxy]anilino}-1,3,4-thiadiazol-2-yl)-7-(diethylamino)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K231-0945 |
| Compound Name: | 3-(5-{3-chloro-4-[(1-chloronaphthalen-2-yl)oxy]anilino}-1,3,4-thiadiazol-2-yl)-7-(diethylamino)-2H-1-benzopyran-2-one |
| Molecular Weight: | 603.53 |
| Molecular Formula: | C31 H24 Cl2 N4 O3 S |
| Smiles: | CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c1nnc(Nc2ccc(c(c2)[Cl])Oc2ccc3ccccc3c2[Cl])s1 |
| Stereo: | ACHIRAL |
| logP: | 8.9628 |
| logD: | 8.9628 |
| logSw: | -7.0179 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.732 |
| InChI Key: | LBQHKZCSYQRXHD-UHFFFAOYSA-N |