N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-methoxybenzamide
Chemical Structure Depiction of
N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-methoxybenzamide
N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-methoxybenzamide
Compound characteristics
| Compound ID: | 3368-0214 |
| Compound Name: | N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-methoxybenzamide |
| Molecular Weight: | 399.53 |
| Molecular Formula: | C20 H21 N3 O2 S2 |
| Smiles: | COc1ccc(cc1)C(NC(Nc1c(C#N)c2CCCCCCc2s1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0984 |
| logD: | 4.2545 |
| logSw: | -4.8204 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.886 |
| InChI Key: | NTSVXDRRAVFXHT-UHFFFAOYSA-N |