N-tert-butyl-6,7-dimethoxy-1-{[(4-methylbenzene-1-sulfonyl)amino]methyl}-3,4-dihydroisoquinoline-2(1H)-carboxamide
Chemical Structure Depiction of
N-tert-butyl-6,7-dimethoxy-1-{[(4-methylbenzene-1-sulfonyl)amino]methyl}-3,4-dihydroisoquinoline-2(1H)-carboxamide
N-tert-butyl-6,7-dimethoxy-1-{[(4-methylbenzene-1-sulfonyl)amino]methyl}-3,4-dihydroisoquinoline-2(1H)-carboxamide
Compound characteristics
| Compound ID: | V013-1225 |
| Compound Name: | N-tert-butyl-6,7-dimethoxy-1-{[(4-methylbenzene-1-sulfonyl)amino]methyl}-3,4-dihydroisoquinoline-2(1H)-carboxamide |
| Molecular Weight: | 475.61 |
| Molecular Formula: | C24 H33 N3 O5 S |
| Smiles: | Cc1ccc(cc1)S(NCC1c2cc(c(cc2CCN1C(NC(C)(C)C)=O)OC)OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7111 |
| logD: | 3.7111 |
| logSw: | -3.9168 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.342 |
| InChI Key: | USPPSEAILFCHRC-FQEVSTJZSA-N |