methyl N-[(adamantan-1-yl)methyl]-N'-(prop-2-en-1-yl)carbamimidothioate
Chemical Structure Depiction of
methyl N-[(adamantan-1-yl)methyl]-N'-(prop-2-en-1-yl)carbamimidothioate
methyl N-[(adamantan-1-yl)methyl]-N'-(prop-2-en-1-yl)carbamimidothioate
Compound characteristics
| Compound ID: | Y500-7215 |
| Compound Name: | methyl N-[(adamantan-1-yl)methyl]-N'-(prop-2-en-1-yl)carbamimidothioate |
| Molecular Weight: | 278.46 |
| Molecular Formula: | C16 H26 N2 S |
| Smiles: | CSC(\NCC12CC3CC(CC(C3)C2)C1)=N/CC=C |
| Stereo: | ACHIRAL |
| logP: | 4.7321 |
| logD: | 4.3984 |
| logSw: | -4.4395 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 19.5135 |
| InChI Key: | KNLBETHRHNVIDE-UHFFFAOYSA-N |