N-(3,4-dichlorophenyl)-1-{[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]methyl}-3,4-dihydroisoquinoline-2(1H)-carboxamide
Chemical Structure Depiction of
N-(3,4-dichlorophenyl)-1-{[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]methyl}-3,4-dihydroisoquinoline-2(1H)-carboxamide
N-(3,4-dichlorophenyl)-1-{[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]methyl}-3,4-dihydroisoquinoline-2(1H)-carboxamide
Compound characteristics
| Compound ID: | 8014-1428 |
| Compound Name: | N-(3,4-dichlorophenyl)-1-{[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]methyl}-3,4-dihydroisoquinoline-2(1H)-carboxamide |
| Molecular Weight: | 472.41 |
| Molecular Formula: | C25 H27 Cl2 N3 O2 |
| Smiles: | CC1(C)CC(=CC(C1)=O)NCC1c2ccccc2CCN1C(Nc1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8025 |
| logD: | 5.8018 |
| logSw: | -5.9555 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.255 |
| InChI Key: | MKBLGROIXKQVFQ-QHCPKHFHSA-N |