7-chloro-3-(2,2-dimethoxyethyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
7-chloro-3-(2,2-dimethoxyethyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
7-chloro-3-(2,2-dimethoxyethyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K287-0330 |
| Compound Name: | 7-chloro-3-(2,2-dimethoxyethyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 300.76 |
| Molecular Formula: | C12 H13 Cl N2 O3 S |
| Smiles: | COC(CN1C(c2ccc(cc2NC1=S)[Cl])=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.8716 |
| logD: | 1.7944 |
| logSw: | -3.1778 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.084 |
| InChI Key: | LEWXGJXPPWCWOU-UHFFFAOYSA-N |