N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-2797 |
| Compound Name: | N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C22 H31 N5 O3 S |
| Smiles: | CN1CCN(CCCNC(c2ccc3C(N(CC4CCCO4)C(Nc3c2)=S)=O)=O)CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6275 |
| logD: | -0.5228 |
| logSw: | -2.4208 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.686 |
| InChI Key: | BUNSPWQOMVOLRY-QGZVFWFLSA-N |