methyl 3-[3-(morpholin-4-yl)propyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[3-(morpholin-4-yl)propyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[3-(morpholin-4-yl)propyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K287-0289 |
| Compound Name: | methyl 3-[3-(morpholin-4-yl)propyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 363.43 |
| Molecular Formula: | C17 H21 N3 O4 S |
| Smiles: | COC(c1ccc2C(N(CCCN3CCOCC3)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7267 |
| logD: | 1.42 |
| logSw: | -2.6555 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.361 |
| InChI Key: | VCTOAUMZVSSDKK-UHFFFAOYSA-N |