N-(2H-1,3-benzodioxol-5-yl)-2-[(1'H-spiro[cyclohexane-1,2'-quinazolin]-4'-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[(1'H-spiro[cyclohexane-1,2'-quinazolin]-4'-yl)sulfanyl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[(1'H-spiro[cyclohexane-1,2'-quinazolin]-4'-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | E971-0507 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(1'H-spiro[cyclohexane-1,2'-quinazolin]-4'-yl)sulfanyl]acetamide |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C22 H23 N3 O3 S |
| Smiles: | C1CCC2(CC1)Nc1ccccc1C(=N2)SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2732 |
| logD: | 4.273 |
| logSw: | -4.2264 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.306 |
| InChI Key: | HKAUHRUFRVJUJR-UHFFFAOYSA-N |