N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(pyrrolidine-1-sulfonyl)benzamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(pyrrolidine-1-sulfonyl)benzamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(pyrrolidine-1-sulfonyl)benzamide
Compound characteristics
| Compound ID: | 8007-8143 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(pyrrolidine-1-sulfonyl)benzamide |
| Molecular Weight: | 415.53 |
| Molecular Formula: | C20 H21 N3 O3 S2 |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(c1cccc(c1)S(N1CCCC1)(=O)=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.5247 |
| logD: | 0.2615 |
| logSw: | -4.094 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.178 |
| InChI Key: | WXTHQCNYMPYWMS-UHFFFAOYSA-N |