1,3-dimethyl-5-nitro-6-(phenylsulfanyl)-1,3-dihydro-2H-benzimidazol-2-one
Chemical Structure Depiction of
1,3-dimethyl-5-nitro-6-(phenylsulfanyl)-1,3-dihydro-2H-benzimidazol-2-one
1,3-dimethyl-5-nitro-6-(phenylsulfanyl)-1,3-dihydro-2H-benzimidazol-2-one
Compound characteristics
| Compound ID: | C301-6568 |
| Compound Name: | 1,3-dimethyl-5-nitro-6-(phenylsulfanyl)-1,3-dihydro-2H-benzimidazol-2-one |
| Molecular Weight: | 315.35 |
| Molecular Formula: | C15 H13 N3 O3 S |
| Smiles: | CN1C(N(C)c2cc(c(cc12)[N+]([O-])=O)Sc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6603 |
| logD: | 3.6603 |
| logSw: | -4.0048 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.732 |
| InChI Key: | WJDDCAOLCNZIMO-UHFFFAOYSA-N |