N-tert-butyl-6,7-dimethoxy-1-({[(propan-2-yl)carbamothioyl]amino}methyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
Chemical Structure Depiction of
N-tert-butyl-6,7-dimethoxy-1-({[(propan-2-yl)carbamothioyl]amino}methyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
N-tert-butyl-6,7-dimethoxy-1-({[(propan-2-yl)carbamothioyl]amino}methyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
Compound characteristics
| Compound ID: | V025-9602 |
| Compound Name: | N-tert-butyl-6,7-dimethoxy-1-({[(propan-2-yl)carbamothioyl]amino}methyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide |
| Molecular Weight: | 422.59 |
| Molecular Formula: | C21 H34 N4 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)NC(NCC1c2cc(c(cc2CCN1C(NC(C)(C)C)=O)OC)OC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8072 |
| logD: | 2.8072 |
| logSw: | -3.3452 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.297 |
| InChI Key: | KRKPVWQWXFSBGW-INIZCTEOSA-N |