3-(5-{3-chloro-4-[(1-chloronaphthalen-2-yl)oxy]anilino}-1,3,4-thiadiazol-2-yl)-6-methoxy-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-methoxy-2H-1-benzopyran-2-one
3-(5-{3-chloro-4-[(1-chloronaphthalen-2-yl)oxy]anilino}-1,3,4-thiadiazol-2-yl)-6-methoxy-2H-1-benzopyran-2-one
Compound characteristics
Compound ID: | K231-0392 |
Compound Name: | 3-(5-{3-chloro-4-[(1-chloronaphthalen-2-yl)oxy]anilino}-1,3,4-thiadiazol-2-yl)-6-methoxy-2H-1-benzopyran-2-one |
Molecular Weight: | 562.43 |
Molecular Formula: | C28 H17 Cl2 N3 O4 S |
Smiles: | COc1ccc2c(C=C(C(=O)O2)c2nnc(Nc3ccc(c(c3)[Cl])Oc3ccc4ccccc4c3[Cl])s2)c1 |
Stereo: | ACHIRAL |
logP: | 7.9918 |
logD: | 7.9918 |
logSw: | -7.0316 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 67.539 |
InChI Key: | SHJNKZOGHUVPPK-UHFFFAOYSA-N |