N-(4-bromo-2-methylphenyl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butanamide
Chemical Structure Depiction of
N-(4-bromo-2-methylphenyl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butanamide
N-(4-bromo-2-methylphenyl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butanamide
Compound characteristics
| Compound ID: | C069-0670 |
| Compound Name: | N-(4-bromo-2-methylphenyl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butanamide |
| Molecular Weight: | 412.39 |
| Molecular Formula: | C18 H26 Br N3 O S |
| Smiles: | CC1CC(C)(C)NC(N1CCCC(Nc1ccc(cc1C)[Br])=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2071 |
| logD: | 3.2068 |
| logSw: | -3.3283 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 36.427 |
| InChI Key: | KXRQQFOOJVXJMQ-ZDUSSCGKSA-N |