2-{[4-(4-chlorophenoxy)butyl]sulfanyl}-5,6,7,8-tetrahydroquinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[4-(4-chlorophenoxy)butyl]sulfanyl}-5,6,7,8-tetrahydroquinazolin-4(3H)-one
2-{[4-(4-chlorophenoxy)butyl]sulfanyl}-5,6,7,8-tetrahydroquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | D467-0112 |
| Compound Name: | 2-{[4-(4-chlorophenoxy)butyl]sulfanyl}-5,6,7,8-tetrahydroquinazolin-4(3H)-one |
| Molecular Weight: | 364.89 |
| Molecular Formula: | C18 H21 Cl N2 O2 S |
| Smiles: | C1CCC2=C(C1)C(NC(=N2)SCCCCOc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4935 |
| logD: | 4.2722 |
| logSw: | -4.7299 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.89 |
| InChI Key: | XPNXCQFXODADNQ-UHFFFAOYSA-N |