N-(3,4-dimethylphenyl)-N-[(4-phenyl-3-propanoyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulen-1-yl)methyl]propanamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-N-[(4-phenyl-3-propanoyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulen-1-yl)methyl]propanamide
N-(3,4-dimethylphenyl)-N-[(4-phenyl-3-propanoyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulen-1-yl)methyl]propanamide
Compound characteristics
| Compound ID: | 8016-9176 |
| Compound Name: | N-(3,4-dimethylphenyl)-N-[(4-phenyl-3-propanoyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulen-1-yl)methyl]propanamide |
| Molecular Weight: | 482.63 |
| Molecular Formula: | C30 H34 N4 O2 |
| Smiles: | CCC(c1c(c2ccccc2)c2CCCCN3C(CN(C(CC)=O)c4ccc(C)c(C)c4)=Nn1c23)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7241 |
| logD: | 6.7241 |
| logSw: | -5.5427 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.053 |
| InChI Key: | JFCZMLLTMYGLBM-UHFFFAOYSA-N |