(adamantan-1-yl)methyl 4-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonyl)amino]benzoate
Chemical Structure Depiction of
(adamantan-1-yl)methyl 4-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonyl)amino]benzoate
(adamantan-1-yl)methyl 4-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonyl)amino]benzoate
Compound characteristics
| Compound ID: | 8017-6772 |
| Compound Name: | (adamantan-1-yl)methyl 4-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonyl)amino]benzoate |
| Molecular Weight: | 509.62 |
| Molecular Formula: | C27 H31 N3 O5 S |
| Smiles: | CN1C(N(C)c2cc(ccc12)S(Nc1ccc(cc1)C(=O)OCC12CC3CC(CC(C3)C2)C1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7667 |
| logD: | 5.6258 |
| logSw: | -5.5431 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.464 |
| InChI Key: | JZMUHYXYYOHSEC-UHFFFAOYSA-N |