N-{2-chloro-1-[3-(4-methylbenzene-1-sulfonyl)-2-(propan-2-yl)-1,3-diazinan-1-yl]ethylidene}-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-{2-chloro-1-[3-(4-methylbenzene-1-sulfonyl)-2-(propan-2-yl)-1,3-diazinan-1-yl]ethylidene}-4-methylbenzene-1-sulfonamide
N-{2-chloro-1-[3-(4-methylbenzene-1-sulfonyl)-2-(propan-2-yl)-1,3-diazinan-1-yl]ethylidene}-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 5705-0465 |
| Compound Name: | N-{2-chloro-1-[3-(4-methylbenzene-1-sulfonyl)-2-(propan-2-yl)-1,3-diazinan-1-yl]ethylidene}-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 512.09 |
| Molecular Formula: | C23 H30 Cl N3 O4 S2 |
| Smiles: | CC(C)C1N(CCCN1S(c1ccc(C)cc1)(=O)=O)C(/C[Cl])=N/S(c1ccc(C)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9167 |
| logD: | 4.9167 |
| logSw: | -4.4975 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.447 |
| InChI Key: | ONIYZQQXXSUPKB-QHCPKHFHSA-N |