2-[(4-{5-[(3S)-1,2-dithiolan-3-yl]pentanoyl}piperazin-1-yl)methyl]quinazolin-4(3H)-one
Chemical Structure Depiction of
2-[(4-{5-[(3S)-1,2-dithiolan-3-yl]pentanoyl}piperazin-1-yl)methyl]quinazolin-4(3H)-one
2-[(4-{5-[(3S)-1,2-dithiolan-3-yl]pentanoyl}piperazin-1-yl)methyl]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | Y043-3882 |
| Compound Name: | 2-[(4-{5-[(3S)-1,2-dithiolan-3-yl]pentanoyl}piperazin-1-yl)methyl]quinazolin-4(3H)-one |
| Molecular Weight: | 432.61 |
| Molecular Formula: | C21 H28 N4 O2 S2 |
| Smiles: | C(CC[C@H]1CCSS1)CC(N1CCN(CC1)CC1NC(c2ccccc2N=1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.9698 |
| logD: | 1.9672 |
| logSw: | -2.8175 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.391 |
| InChI Key: | NNGWEZQQUZDATE-INIZCTEOSA-N |