N-[(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)carbamothioyl]benzamide
Chemical Structure Depiction of
N-[(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)carbamothioyl]benzamide
N-[(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)carbamothioyl]benzamide
Compound characteristics
| Compound ID: | 4333-3484 |
| Compound Name: | N-[(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)carbamothioyl]benzamide |
| Molecular Weight: | 371.48 |
| Molecular Formula: | C18 H17 N3 O2 S2 |
| Smiles: | CC1(C)Cc2c(C#N)c(NC(NC(c3ccccc3)=O)=S)sc2CO1 |
| Stereo: | ACHIRAL |
| logP: | 3.8627 |
| logD: | 3.0011 |
| logSw: | -4.3546 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.708 |
| InChI Key: | NGBDDKGHTCIPAP-UHFFFAOYSA-N |