N-[(4-methoxyphenyl)methyl]-4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide
N-[(4-methoxyphenyl)methyl]-4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide
Compound characteristics
| Compound ID: | K284-5412 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide |
| Molecular Weight: | 475.52 |
| Molecular Formula: | C25 H21 N3 O5 S |
| Smiles: | COc1ccc(CNC(c2ccc(CN3C(c4cc5c(cc4NC3=S)OCO5)=O)cc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8313 |
| logD: | 3.8242 |
| logSw: | -4.1102 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.391 |
| InChI Key: | WBNBQTWJSGZHSU-UHFFFAOYSA-N |