2-({2-[4-(adamantan-1-yl)piperazin-1-yl]-2-oxoethyl}sulfanyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-({2-[4-(adamantan-1-yl)piperazin-1-yl]-2-oxoethyl}sulfanyl)quinazolin-4(3H)-one
2-({2-[4-(adamantan-1-yl)piperazin-1-yl]-2-oxoethyl}sulfanyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 8018-1537 |
| Compound Name: | 2-({2-[4-(adamantan-1-yl)piperazin-1-yl]-2-oxoethyl}sulfanyl)quinazolin-4(3H)-one |
| Molecular Weight: | 438.59 |
| Molecular Formula: | C24 H30 N4 O2 S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)N1CCN(CC1)C(CSC1NC(c2ccccc2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3623 |
| logD: | 3.2097 |
| logSw: | -3.9706 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.846 |
| InChI Key: | WGOKQJGRCUWLCI-UHFFFAOYSA-N |