N-[(4-methoxyphenyl)methyl]-4-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)butanamide
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)butanamide
N-[(4-methoxyphenyl)methyl]-4-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)butanamide
Compound characteristics
| Compound ID: | K284-5253 |
| 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)butanamide |
| Molecular Weight: | 427.48 |
| Molecular Formula: | C21 H21 N3 O5 S |
| Smiles: | COc1ccc(CNC(CCCN2C(c3cc4c(cc3NC2=S)OCO4)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2238 |
| logD: | 2.2019 |
| logSw: | -3.1311 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.427 |
| InChI Key: | PHJBUIGDPUGHDG-UHFFFAOYSA-N |