N-[1,3-dimethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-benzimidazol-5-yl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[1,3-dimethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-benzimidazol-5-yl]-2H-1,3-benzodioxole-5-carboxamide
N-[1,3-dimethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-benzimidazol-5-yl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | F431-0029 |
| Compound Name: | N-[1,3-dimethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-benzimidazol-5-yl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 433.48 |
| Molecular Formula: | C23 H19 N3 O4 S |
| Smiles: | CN1C(N(C)c2cc(c(cc12)NC(c1ccc2c(c1)OCO2)=O)Sc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6223 |
| logD: | 4.6223 |
| logSw: | -4.3395 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.16 |
| InChI Key: | HEJHPDPEFDBVIR-UHFFFAOYSA-N |