methyl 3-{3-[(2-methylpropyl)amino]-3-oxopropyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-{3-[(2-methylpropyl)amino]-3-oxopropyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-{3-[(2-methylpropyl)amino]-3-oxopropyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0216 |
| Compound Name: | methyl 3-{3-[(2-methylpropyl)amino]-3-oxopropyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 363.43 |
| Molecular Formula: | C17 H21 N3 O4 S |
| Smiles: | CC(C)CNC(CCN1C(c2ccc(cc2NC1=S)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1823 |
| logD: | 2.1772 |
| logSw: | -3.0942 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.213 |
| InChI Key: | SIRBYFVSRYQUPX-UHFFFAOYSA-N |