1-[3-(4-methylbenzoyl)imidazolidin-1-yl]-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-[3-(4-methylbenzoyl)imidazolidin-1-yl]-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]ethan-1-one
1-[3-(4-methylbenzoyl)imidazolidin-1-yl]-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 6995-0163 |
| Compound Name: | 1-[3-(4-methylbenzoyl)imidazolidin-1-yl]-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 425.46 |
| Molecular Formula: | C20 H19 N5 O4 S |
| Smiles: | Cc1ccc(cc1)C(N1CCN(C1)C(CSc1nc2cc(ccc2[nH]1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.615 |
| logD: | 1.9618 |
| logSw: | -2.9611 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.316 |
| InChI Key: | YSHVTZMRCAQIDR-UHFFFAOYSA-N |