2-(5-{3-chloro-4-[(4-chloronaphthalen-1-yl)oxy]anilino}-1,3,4-thiadiazol-2-yl)-3H-naphtho[2,1-b]pyran-3-one
Chemical Structure Depiction of
2-(5-{3-chloro-4-[(4-chloronaphthalen-1-yl)oxy]anilino}-1,3,4-thiadiazol-2-yl)-3H-naphtho[2,1-b]pyran-3-one
2-(5-{3-chloro-4-[(4-chloronaphthalen-1-yl)oxy]anilino}-1,3,4-thiadiazol-2-yl)-3H-naphtho[2,1-b]pyran-3-one
Compound characteristics
| Compound ID: | K231-0788 |
| Compound Name: | 2-(5-{3-chloro-4-[(4-chloronaphthalen-1-yl)oxy]anilino}-1,3,4-thiadiazol-2-yl)-3H-naphtho[2,1-b]pyran-3-one |
| Molecular Weight: | 582.46 |
| Molecular Formula: | C31 H17 Cl2 N3 O3 S |
| Smiles: | C1=C(C(=O)Oc2ccc3ccccc3c12)c1nnc(Nc2ccc(c(c2)[Cl])Oc2ccc(c3ccccc23)[Cl])s1 |
| Stereo: | ACHIRAL |
| logP: | 9.2882 |
| logD: | 9.2882 |
| logSw: | -7.108 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.724 |
| InChI Key: | IGDBRMZKVGBXOB-UHFFFAOYSA-N |