methyl 3-[2-(cycloheptylamino)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[2-(cycloheptylamino)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[2-(cycloheptylamino)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0114 |
| Compound Name: | methyl 3-[2-(cycloheptylamino)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 389.47 |
| Molecular Formula: | C19 H23 N3 O4 S |
| Smiles: | COC(c1ccc2C(N(CC(NC3CCCCCC3)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2503 |
| logD: | 3.2481 |
| logSw: | -3.5383 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.02 |
| InChI Key: | RLYIYEHHYBTZMV-UHFFFAOYSA-N |