methyl (4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)carbamate
Chemical Structure Depiction of
methyl (4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)carbamate
methyl (4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)carbamate
Compound characteristics
| Compound ID: | K284-0178 |
| Compound Name: | methyl (4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)carbamate |
| Molecular Weight: | 251.26 |
| Molecular Formula: | C10 H9 N3 O3 S |
| Smiles: | COC(NN1C(c2ccccc2NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8731 |
| logD: | -1.203 |
| logSw: | -2.3175 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.492 |
| InChI Key: | VKMJXOLKHAMXBE-UHFFFAOYSA-N |