5-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
5-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]-1,5-diazacycloundecan-2-one
5-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S782-0087 |
| Compound Name: | 5-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 367.49 |
| Molecular Formula: | C22 H29 N3 O2 |
| Smiles: | Cc1ccc(C)n1c1ccc(cc1)C(N1CCCCCCNC(CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2041 |
| logD: | 2.2041 |
| logSw: | -2.5873 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.13 |
| InChI Key: | TUIJJTZJUXEZSS-UHFFFAOYSA-N |