N-[5-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-methylphenyl]-1,2-benzothiazole-3-carboxamide
Chemical Structure Depiction of
N-[5-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-methylphenyl]-1,2-benzothiazole-3-carboxamide
N-[5-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-methylphenyl]-1,2-benzothiazole-3-carboxamide
Compound characteristics
| Compound ID: | G795-0418 |
| Compound Name: | N-[5-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-methylphenyl]-1,2-benzothiazole-3-carboxamide |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C25 H21 N3 O2 S |
| Smiles: | Cc1ccc(cc1NC(c1c2ccccc2sn1)=O)C(N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7003 |
| logD: | 4.7003 |
| logSw: | -4.4752 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.932 |
| InChI Key: | XEISKXVLMSPKCK-UHFFFAOYSA-N |