3-(3-chlorophenyl)-2-[4-(3-oxo-3H-naphtho[2,1-b]pyran-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Chemical Structure Depiction of
3-(3-chlorophenyl)-2-[4-(3-oxo-3H-naphtho[2,1-b]pyran-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
3-(3-chlorophenyl)-2-[4-(3-oxo-3H-naphtho[2,1-b]pyran-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Compound characteristics
Compound ID: | 1246-0591 |
Compound Name: | 3-(3-chlorophenyl)-2-[4-(3-oxo-3H-naphtho[2,1-b]pyran-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile |
Molecular Weight: | 440.91 |
Molecular Formula: | C25 H13 Cl N2 O2 S |
Smiles: | C(=C(/C#N)c1nc(cs1)C1=Cc2c(ccc3ccccc23)OC1=O)/c1cccc(c1)[Cl] |
Stereo: | ACHIRAL |
logP: | 6.5482 |
logD: | 6.5482 |
logSw: | -6.9717 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 47.407 |
InChI Key: | ZSDWWCDNPNBKHQ-UHFFFAOYSA-N |