methyl 3-(2-{[(furan-2-yl)methyl](propan-2-yl)amino}ethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-(2-{[(furan-2-yl)methyl](propan-2-yl)amino}ethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-(2-{[(furan-2-yl)methyl](propan-2-yl)amino}ethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0073 |
| Compound Name: | methyl 3-(2-{[(furan-2-yl)methyl](propan-2-yl)amino}ethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 401.48 |
| Molecular Formula: | C20 H23 N3 O4 S |
| Smiles: | CC(C)N(CCN1C(c2ccc(cc2NC1=S)C(=O)OC)=O)Cc1ccco1 |
| Stereo: | ACHIRAL |
| logP: | 3.544 |
| logD: | 3.1651 |
| logSw: | -3.7507 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.816 |
| InChI Key: | NJVRUKYINIUSLQ-UHFFFAOYSA-N |