N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(morpholine-4-sulfonyl)benzamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(morpholine-4-sulfonyl)benzamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(morpholine-4-sulfonyl)benzamide
Compound characteristics
| Compound ID: | 1000-0416 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(morpholine-4-sulfonyl)benzamide |
| Molecular Weight: | 431.53 |
| Molecular Formula: | C20 H21 N3 O4 S2 |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(c1ccc(cc1)S(N1CCOCC1)(=O)=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.785 |
| logD: | -0.3258 |
| logSw: | -3.5388 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.72 |
| InChI Key: | LDOWVHZGDMTAST-UHFFFAOYSA-N |