(3,4-dihydroisoquinolin-2(1H)-yl)[1,3,5-trimethyl-4-(3-methylpiperidine-1-sulfonyl)-1H-pyrrol-2-yl]methanone
Chemical Structure Depiction of
(3,4-dihydroisoquinolin-2(1H)-yl)[1,3,5-trimethyl-4-(3-methylpiperidine-1-sulfonyl)-1H-pyrrol-2-yl]methanone
(3,4-dihydroisoquinolin-2(1H)-yl)[1,3,5-trimethyl-4-(3-methylpiperidine-1-sulfonyl)-1H-pyrrol-2-yl]methanone
Compound characteristics
| Compound ID: | F379-3636 |
| Compound Name: | (3,4-dihydroisoquinolin-2(1H)-yl)[1,3,5-trimethyl-4-(3-methylpiperidine-1-sulfonyl)-1H-pyrrol-2-yl]methanone |
| Molecular Weight: | 429.58 |
| Molecular Formula: | C23 H31 N3 O3 S |
| Smiles: | CC1CCCN(C1)S(c1c(C)c(C(N2CCc3ccccc3C2)=O)n(C)c1C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0187 |
| logD: | 3.0187 |
| logSw: | -3.3224 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.001 |
| InChI Key: | VGSXXQWCYNTNNV-INIZCTEOSA-N |