N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(morpholine-4-sulfonyl)benzamide
Chemical Structure Depiction of
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(morpholine-4-sulfonyl)benzamide
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(morpholine-4-sulfonyl)benzamide
Compound characteristics
| Compound ID: | 8013-1024 |
| Compound Name: | N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(morpholine-4-sulfonyl)benzamide |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C21 H23 N3 O4 S2 |
| Smiles: | CC1CCc2c(C#N)c(NC(c3cccc(c3)S(N3CCOCC3)(=O)=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2997 |
| logD: | 0.0365 |
| logSw: | -3.8605 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.72 |
| InChI Key: | SMWVYBIAFBLHGU-CQSZACIVSA-N |