methyl 3-{3-[({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)amino]-3-oxopropyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-{3-[({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)amino]-3-oxopropyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-{3-[({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)amino]-3-oxopropyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0219 |
| Compound Name: | methyl 3-{3-[({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)amino]-3-oxopropyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 512.6 |
| Molecular Formula: | C26 H29 F N4 O4 S |
| Smiles: | COC(c1ccc2C(N(CCC(NCC3CCN(CC3)Cc3ccccc3F)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5143 |
| logD: | 1.7249 |
| logSw: | -3.8861 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.674 |
| InChI Key: | WWJCIXAMIYUKMX-UHFFFAOYSA-N |