N-cyclopentyl-1-{[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]methyl}-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
N-cyclopentyl-1-{[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]methyl}-3,4-dihydroisoquinoline-2(1H)-carbothioamide
N-cyclopentyl-1-{[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]methyl}-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | 8015-0036 |
| Compound Name: | N-cyclopentyl-1-{[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]methyl}-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 411.61 |
| Molecular Formula: | C24 H33 N3 O S |
| Smiles: | CC1(C)CC(=CC(C1)=O)NCC1c2ccccc2CCN1C(NC1CCCC1)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6965 |
| logD: | 4.694 |
| logSw: | -4.3123 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 36.098 |
| InChI Key: | GLMDWTVKRSKELQ-QFIPXVFZSA-N |