N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methoxybenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methoxybenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methoxybenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Compound characteristics
| Compound ID: | 6404-0005 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methoxybenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
| Molecular Weight: | 507.63 |
| Molecular Formula: | C26 H25 N3 O4 S2 |
| Smiles: | COc1ccc(cc1)S(N1Cc2ccccc2CC1C(Nc1c(C#N)c2CCCCc2s1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0754 |
| logD: | 1.2782 |
| logSw: | -4.7933 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.488 |
| InChI Key: | FTIVWERODMEKHU-QHCPKHFHSA-N |