2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}quinazolin-4(3H)-one
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-4431 |
| Compound Name: | 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}quinazolin-4(3H)-one |
| Molecular Weight: | 554.15 |
| Molecular Formula: | C29 H36 Cl N5 O2 S |
| Smiles: | C1CCCN(CC1)C(CSC1=Nc2ccccc2C(N1CCCN1CCN(CC1)c1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4156 |
| logD: | 4.2807 |
| logSw: | -4.4609 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.716 |
| InChI Key: | SDMVQFUACGIKSW-UHFFFAOYSA-N |