N-(2-acetamidoethyl)-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-(2-acetamidoethyl)-4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide
N-(2-acetamidoethyl)-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: | K284-5377 |
| Compound Name: | N-(2-acetamidoethyl)-4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide |
| Molecular Weight: | 440.48 |
| Molecular Formula: | C21 H20 N4 O5 S |
| Smiles: | CC(NCCNC(c1ccc(CN2C(c3cc4c(cc3NC2=S)OCO4)=O)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0205 |
| logD: | 1.0134 |
| logSw: | -2.5719 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.385 |
| InChI Key: | MSVPKNPETDLDTG-UHFFFAOYSA-N |