1-[2,4-bis(4-methylbenzene-1-sulfonyl)-1,3-thiazol-5-yl]azepane
Chemical Structure Depiction of
1-[2,4-bis(4-methylbenzene-1-sulfonyl)-1,3-thiazol-5-yl]azepane
1-[2,4-bis(4-methylbenzene-1-sulfonyl)-1,3-thiazol-5-yl]azepane
Compound characteristics
| Compound ID: | 7706-0918 |
| Compound Name: | 1-[2,4-bis(4-methylbenzene-1-sulfonyl)-1,3-thiazol-5-yl]azepane |
| Molecular Weight: | 490.66 |
| Molecular Formula: | C23 H26 N2 O4 S3 |
| Smiles: | Cc1ccc(cc1)S(c1c(N2CCCCCC2)sc(n1)S(c1ccc(C)cc1)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1237 |
| logD: | 6.1237 |
| logSw: | -5.4551 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.4 |
| InChI Key: | JOERBQCQVRLOQX-UHFFFAOYSA-N |