1,4-bis(4-chloro-2-methoxybenzene-1-sulfonyl)-1,4-diazepane
Chemical Structure Depiction of
1,4-bis(4-chloro-2-methoxybenzene-1-sulfonyl)-1,4-diazepane
1,4-bis(4-chloro-2-methoxybenzene-1-sulfonyl)-1,4-diazepane
Compound characteristics
| Compound ID: | 4502-0395 |
| Compound Name: | 1,4-bis(4-chloro-2-methoxybenzene-1-sulfonyl)-1,4-diazepane |
| Molecular Weight: | 509.43 |
| Molecular Formula: | C19 H22 Cl2 N2 O6 S2 |
| Smiles: | COc1cc(ccc1S(N1CCCN(CC1)S(c1ccc(cc1OC)[Cl])(=O)=O)(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.0031 |
| logD: | 4.0031 |
| logSw: | -4.4275 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 79.06 |
| InChI Key: | GMMQHNYZFJFKDS-UHFFFAOYSA-N |