methyl 3-[4-({2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}amino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[4-({2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}amino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[4-({2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}amino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0275 |
| Compound Name: | methyl 3-[4-({2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}amino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 539.65 |
| Molecular Formula: | C27 H33 N5 O5 S |
| Smiles: | COC(c1ccc2C(N(CCCC(NCCN3CCN(CC3)c3ccc(cc3)OC)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1869 |
| logD: | 2.0589 |
| logSw: | -3.0658 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.57 |
| InChI Key: | RXIGOWIZWYNRGP-UHFFFAOYSA-N |