2-[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-phenylquinoxaline
Chemical Structure Depiction of
2-[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-phenylquinoxaline
2-[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-phenylquinoxaline
Compound characteristics
| Compound ID: | V009-8510 |
| Compound Name: | 2-[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-phenylquinoxaline |
| Molecular Weight: | 458.58 |
| Molecular Formula: | C26 H26 N4 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)S(N1CCCN(CC1)c1c(c2ccccc2)nc2ccccc2n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4976 |
| logD: | 5.4975 |
| logSw: | -5.5036 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.906 |
| InChI Key: | YTQYGNHQXAZDCG-UHFFFAOYSA-N |