7-{3-[benzyl(methyl)amino]propyl}-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
Chemical Structure Depiction of
7-{3-[benzyl(methyl)amino]propyl}-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
7-{3-[benzyl(methyl)amino]propyl}-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
Compound characteristics
| Compound ID: | K284-4989 |
| Compound Name: | 7-{3-[benzyl(methyl)amino]propyl}-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one |
| Molecular Weight: | 383.47 |
| Molecular Formula: | C20 H21 N3 O3 S |
| Smiles: | CN(CCCN1C(c2cc3c(cc2NC1=S)OCO3)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2249 |
| logD: | 1.926 |
| logSw: | -3.556 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.506 |
| InChI Key: | JZFFZHMQWVFXEX-UHFFFAOYSA-N |