methyl 3-butyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-butyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-butyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-0018 |
| Compound Name: | methyl 3-butyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 292.35 |
| Molecular Formula: | C14 H16 N2 O3 S |
| Smiles: | CCCCN1C(c2ccc(cc2NC1=S)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.211 |
| logD: | 3.2069 |
| logSw: | -3.4499 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.742 |
| InChI Key: | JEXCYIQQWFDBKF-UHFFFAOYSA-N |