N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1'H-spiro[cycloheptane-1,2'-quinazolin]-4'-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1'H-spiro[cycloheptane-1,2'-quinazolin]-4'-yl)sulfanyl]acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1'H-spiro[cycloheptane-1,2'-quinazolin]-4'-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | E971-0501 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1'H-spiro[cycloheptane-1,2'-quinazolin]-4'-yl)sulfanyl]acetamide |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C24 H27 N3 O3 S |
| Smiles: | C1CCCC2(CC1)Nc1ccccc1C(=N2)SCC(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9086 |
| logD: | 3.9083 |
| logSw: | -3.9642 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.345 |
| InChI Key: | DHQBWIOYEJIKJB-UHFFFAOYSA-N |