8-(1-methyl-1H-imidazole-4-sulfonyl)-1-[(2-oxopyrrolidin-1-yl)acetyl]-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(1-methyl-1H-imidazole-4-sulfonyl)-1-[(2-oxopyrrolidin-1-yl)acetyl]-7-phenyl-1,4,8-triazacycloundecan-5-one
8-(1-methyl-1H-imidazole-4-sulfonyl)-1-[(2-oxopyrrolidin-1-yl)acetyl]-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-1025 |
| Compound Name: | 8-(1-methyl-1H-imidazole-4-sulfonyl)-1-[(2-oxopyrrolidin-1-yl)acetyl]-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 516.62 |
| Molecular Formula: | C24 H32 N6 O5 S |
| Smiles: | Cn1cc(nc1)S(N1CCCN(CCNC(CC1c1ccccc1)=O)C(CN1CCCC1=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -1.3082 |
| logD: | -1.3082 |
| logSw: | -2.1044 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.377 |
| InChI Key: | JYYFCTVCTRQZSD-FQEVSTJZSA-N |