2-(3-chlorophenyl)-5-methyl-4-{[(1,3,5-triazatricyclo[3.3.1.1~3,7~]decan-7-yl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(3-chlorophenyl)-5-methyl-4-{[(1,3,5-triazatricyclo[3.3.1.1~3,7~]decan-7-yl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
2-(3-chlorophenyl)-5-methyl-4-{[(1,3,5-triazatricyclo[3.3.1.1~3,7~]decan-7-yl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y500-0954 |
| Compound Name: | 2-(3-chlorophenyl)-5-methyl-4-{[(1,3,5-triazatricyclo[3.3.1.1~3,7~]decan-7-yl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 372.86 |
| Molecular Formula: | C18 H21 Cl N6 O |
| Smiles: | CC1/C(=C/NC23CN4CN(C2)CN(C3)C4)C(N(c2cccc(c2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7945 |
| logD: | 1.7737 |
| logSw: | -2.7918 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.963 |
| InChI Key: | WRONVSUPDFKMQI-UHFFFAOYSA-N |