N-(3-chloro-2-methylphenyl)-3-(propan-2-yl)-1,3-diazinane-1-carbothioamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-3-(propan-2-yl)-1,3-diazinane-1-carbothioamide
N-(3-chloro-2-methylphenyl)-3-(propan-2-yl)-1,3-diazinane-1-carbothioamide
Compound characteristics
| Compound ID: | K783-5613 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-3-(propan-2-yl)-1,3-diazinane-1-carbothioamide |
| Molecular Weight: | 311.87 |
| Molecular Formula: | C15 H22 Cl N3 S |
| Smiles: | CC(C)N1CCCN(C1)C(Nc1cccc(c1C)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 4.3712 |
| logD: | 3.3217 |
| logSw: | -4.3708 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 15.0428 |
| InChI Key: | SAVHWDQNYOEXCA-UHFFFAOYSA-N |