N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)propanamide
Compound characteristics
| Compound ID: | K284-5332 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)propanamide |
| Molecular Weight: | 427.43 |
| Molecular Formula: | C20 H17 N3 O6 S |
| Smiles: | C(CN1C(c2cc3c(cc2NC1=S)OCO3)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4077 |
| logD: | 2.3808 |
| logSw: | -3.1499 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.999 |
| InChI Key: | NSPWPGIBOCGCTA-UHFFFAOYSA-N |