N-(2-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]amino}-2-oxoethyl)-4-(methanesulfonyl)-1,2-dimethyl-6-oxopiperazine-2-carboxamide
Chemical Structure Depiction of
N-(2-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]amino}-2-oxoethyl)-4-(methanesulfonyl)-1,2-dimethyl-6-oxopiperazine-2-carboxamide
N-(2-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]amino}-2-oxoethyl)-4-(methanesulfonyl)-1,2-dimethyl-6-oxopiperazine-2-carboxamide
Compound characteristics
| Compound ID: | E646-7577 |
| Compound Name: | N-(2-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]amino}-2-oxoethyl)-4-(methanesulfonyl)-1,2-dimethyl-6-oxopiperazine-2-carboxamide |
| Molecular Weight: | 479.6 |
| Molecular Formula: | C22 H33 N5 O5 S |
| Smiles: | CC1(CN(CC(N1C)=O)S(C)(=O)=O)C(NCC(NCCCN1CCc2ccccc2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.003 |
| logD: | -1.201 |
| logSw: | -2.2089 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.04 |
| InChI Key: | VSPVIZZYMRABIN-QFIPXVFZSA-N |