3-(5-{3-chloro-4-[(1-chloronaphthalen-2-yl)oxy]anilino}-1,3,4-thiadiazol-2-yl)-6-nitro-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)-6-nitro-2H-1-benzopyran-2-one
3-(5-{3-chloro-4-[(1-chloronaphthalen-2-yl)oxy]anilino}-1,3,4-thiadiazol-2-yl)-6-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K231-0708 |
| Compound Name: | 3-(5-{3-chloro-4-[(1-chloronaphthalen-2-yl)oxy]anilino}-1,3,4-thiadiazol-2-yl)-6-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 577.4 |
| Molecular Formula: | C27 H14 Cl2 N4 O5 S |
| Smiles: | C1=C(C(=O)Oc2ccc(cc12)[N+]([O-])=O)c1nnc(Nc2ccc(c(c2)[Cl])Oc2ccc3ccccc3c2[Cl])s1 |
| Stereo: | ACHIRAL |
| logP: | 7.9523 |
| logD: | 7.9523 |
| logSw: | -7.1664 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.377 |
| InChI Key: | LJRZIGZYVOEJEM-UHFFFAOYSA-N |