N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(8-ethyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(8-ethyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl)sulfanyl]acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(8-ethyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C916-0728 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(8-ethyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 464.59 |
| Molecular Formula: | C25 H28 N4 O3 S |
| Smiles: | CCN1CCC2(CC1)N=C(C(=N2)SCC(Nc1ccc2c(c1)OCCO2)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3387 |
| logD: | -0.3035 |
| logSw: | -3.0074 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.59 |
| InChI Key: | XZBUSRRWVXKUOX-UHFFFAOYSA-N |