methyl 3-(2-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-(2-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-(2-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0070 |
| Compound Name: | methyl 3-(2-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C22 H25 N3 O4 S |
| Smiles: | COC(c1ccc2C(N(CCN(Cc3ccco3)C3CCCC3)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.901 |
| logD: | 3.5992 |
| logSw: | -3.9742 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.412 |
| InChI Key: | LNJRMDYAEXXLFW-UHFFFAOYSA-N |