methyl 3-({4-[4-(ethoxycarbonyl)piperazine-1-carbonyl]phenyl}methyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-({4-[4-(ethoxycarbonyl)piperazine-1-carbonyl]phenyl}methyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-({4-[4-(ethoxycarbonyl)piperazine-1-carbonyl]phenyl}methyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-3694 |
| Compound Name: | methyl 3-({4-[4-(ethoxycarbonyl)piperazine-1-carbonyl]phenyl}methyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 510.57 |
| Molecular Formula: | C25 H26 N4 O6 S |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc(CN2C(c3ccc(cc3NC2=S)C(=O)OC)=O)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9993 |
| logD: | 2.998 |
| logSw: | -3.3906 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.92 |
| InChI Key: | LHLMXMURWHKMER-UHFFFAOYSA-N |