8-(benzenesulfonyl)-1-(5-methylpyrazine-2-carbonyl)-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(benzenesulfonyl)-1-(5-methylpyrazine-2-carbonyl)-1,4,8-triazacycloundecan-5-one
8-(benzenesulfonyl)-1-(5-methylpyrazine-2-carbonyl)-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S764-1033 |
| Compound Name: | 8-(benzenesulfonyl)-1-(5-methylpyrazine-2-carbonyl)-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C20 H25 N5 O4 S |
| Smiles: | Cc1cnc(cn1)C(N1CCCN(CCC(NCC1)=O)S(c1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0415 |
| logD: | 0.0415 |
| logSw: | -2.2555 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.841 |
| InChI Key: | RTPLHHDPZJQSRL-UHFFFAOYSA-N |