N-(2,5-dimethylphenyl)-N'-(1,3,5-triazatricyclo[3.3.1.1~3,7~]decan-7-yl)thiourea
Chemical Structure Depiction of
N-(2,5-dimethylphenyl)-N'-(1,3,5-triazatricyclo[3.3.1.1~3,7~]decan-7-yl)thiourea
N-(2,5-dimethylphenyl)-N'-(1,3,5-triazatricyclo[3.3.1.1~3,7~]decan-7-yl)thiourea
Compound characteristics
| Compound ID: | 6252-0793 |
| Compound Name: | N-(2,5-dimethylphenyl)-N'-(1,3,5-triazatricyclo[3.3.1.1~3,7~]decan-7-yl)thiourea |
| Molecular Weight: | 317.45 |
| Molecular Formula: | C16 H23 N5 S |
| Smiles: | Cc1ccc(C)c(c1)NC(NC12CN3CN(C1)CN(C2)C3)=S |
| Stereo: | ACHIRAL |
| logP: | 2.0562 |
| logD: | 1.8403 |
| logSw: | -2.2152 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 31.1387 |
| InChI Key: | TTYGFSMQABWEEF-UHFFFAOYSA-N |