2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-methyl-7-(thiophen-2-yl)-7,8-dihydroquinazolin-5(6H)-one
Chemical Structure Depiction of
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-methyl-7-(thiophen-2-yl)-7,8-dihydroquinazolin-5(6H)-one
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-methyl-7-(thiophen-2-yl)-7,8-dihydroquinazolin-5(6H)-one
Compound characteristics
| Compound ID: | Y020-0806 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-methyl-7-(thiophen-2-yl)-7,8-dihydroquinazolin-5(6H)-one |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C25 H26 N4 O3 S |
| Smiles: | Cc1c2C(CC(Cc2nc(n1)N1CCN(CC1)Cc1ccc2c(c1)OCO2)c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2299 |
| logD: | 3.5046 |
| logSw: | -4.3654 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.838 |
| InChI Key: | IWVSKRTUBMHEDQ-SFHVURJKSA-N |