N-(3-chloro-4-fluorophenyl)-2-[(1'H-spiro[cyclohexane-1,2'-quinazolin]-4'-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-[(1'H-spiro[cyclohexane-1,2'-quinazolin]-4'-yl)sulfanyl]acetamide
N-(3-chloro-4-fluorophenyl)-2-[(1'H-spiro[cyclohexane-1,2'-quinazolin]-4'-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | E971-0472 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-[(1'H-spiro[cyclohexane-1,2'-quinazolin]-4'-yl)sulfanyl]acetamide |
| Molecular Weight: | 417.93 |
| Molecular Formula: | C21 H21 Cl F N3 O S |
| Smiles: | C1CCC2(CC1)Nc1ccccc1C(=N2)SCC(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1702 |
| logD: | 5.1624 |
| logSw: | -5.4274 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 43.191 |
| InChI Key: | IANDOTWGGQEINO-UHFFFAOYSA-N |