methyl 4-oxo-3-{2-oxo-2-[(propan-2-yl)amino]ethyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-{2-oxo-2-[(propan-2-yl)amino]ethyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-{2-oxo-2-[(propan-2-yl)amino]ethyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0112 |
| Compound Name: | methyl 4-oxo-3-{2-oxo-2-[(propan-2-yl)amino]ethyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 335.38 |
| Molecular Formula: | C15 H17 N3 O4 S |
| Smiles: | CC(C)NC(CN1C(c2ccc(cc2NC1=S)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.618 |
| logD: | 1.6158 |
| logSw: | -2.7023 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.209 |
| InChI Key: | OKFUAXVKAXVMNT-UHFFFAOYSA-N |