methyl 3-(3-methylbutyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-(3-methylbutyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-(3-methylbutyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K287-0258 |
| Compound Name: | methyl 3-(3-methylbutyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 306.38 |
| Molecular Formula: | C15 H18 N2 O3 S |
| Smiles: | CC(C)CCN1C(c2ccc(cc2NC1=S)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5261 |
| logD: | 3.5219 |
| logSw: | -3.7408 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.742 |
| InChI Key: | CXEWFFVLIMXJTD-UHFFFAOYSA-N |