methyl 3-(4-{2-[(2-methylpropyl)amino]-2-oxoethyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-(4-{2-[(2-methylpropyl)amino]-2-oxoethyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-(4-{2-[(2-methylpropyl)amino]-2-oxoethyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0337 |
| Compound Name: | methyl 3-(4-{2-[(2-methylpropyl)amino]-2-oxoethyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C22 H23 N3 O4 S |
| Smiles: | CC(C)CNC(Cc1ccc(cc1)N1C(c2ccc(cc2NC1=S)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8307 |
| logD: | 2.8094 |
| logSw: | -3.4596 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.352 |
| InChI Key: | CAVAIWMBHHRFFG-UHFFFAOYSA-N |