N-(2H-1,3-benzodioxol-5-yl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butanamide
N-(2H-1,3-benzodioxol-5-yl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butanamide
Compound characteristics
| Compound ID: | C069-0635 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butanamide |
| Molecular Weight: | 363.48 |
| Molecular Formula: | C18 H25 N3 O3 S |
| Smiles: | CC1CC(C)(C)NC(N1CCCC(Nc1ccc2c(c1)OCO2)=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.222 |
| logD: | 2.222 |
| logSw: | -2.9899 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.24 |
| InChI Key: | WPPPUXJGAKTIIY-LBPRGKRZSA-N |