methyl 3-[2-(azepan-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[2-(azepan-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[2-(azepan-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0066 |
| Compound Name: | methyl 3-[2-(azepan-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 361.46 |
| Molecular Formula: | C18 H23 N3 O3 S |
| Smiles: | COC(c1ccc2C(N(CCN3CCCCCC3)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1221 |
| logD: | 1.8189 |
| logSw: | -3.4063 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.784 |
| InChI Key: | UZOGDFUBWOEDHO-UHFFFAOYSA-N |