1-benzyl-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2,3-dimethyl-1H-indole-5-carboxamide
Chemical Structure Depiction of
1-benzyl-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2,3-dimethyl-1H-indole-5-carboxamide
1-benzyl-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2,3-dimethyl-1H-indole-5-carboxamide
Compound characteristics
| Compound ID: | Y501-1465 |
| Compound Name: | 1-benzyl-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2,3-dimethyl-1H-indole-5-carboxamide |
| Molecular Weight: | 512.7 |
| Molecular Formula: | C29 H28 N4 O S2 |
| Smiles: | Cc1c2cc(ccc2n(Cc2ccccc2)c1C)C(NC(Nc1c(C#N)c2CCCCCc2s1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1862 |
| logD: | 6.3423 |
| logSw: | -5.6574 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.542 |
| InChI Key: | LGBKCWRLELXXBT-UHFFFAOYSA-N |