(2H-1,3-benzodioxol-5-yl)(8-ethyl-3-phenyl-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-en-1-yl)methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl)(8-ethyl-3-phenyl-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-en-1-yl)methanone
(2H-1,3-benzodioxol-5-yl)(8-ethyl-3-phenyl-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-en-1-yl)methanone
Compound characteristics
| Compound ID: | C915-0804 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl)(8-ethyl-3-phenyl-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-en-1-yl)methanone |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C23 H23 N3 O3 S |
| Smiles: | CCN1CCC2(CC1)N=C(C(N2C(c1ccc2c(c1)OCO2)=O)=S)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1763 |
| logD: | 0.4122 |
| logSw: | -3.3147 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 44.457 |
| InChI Key: | BGFSBNFDSHCMKZ-UHFFFAOYSA-N |