N-[(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]pyridine-3-carboxamide
Chemical Structure Depiction of
N-[(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]pyridine-3-carboxamide
N-[(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | Y500-9247 |
| Compound Name: | N-[(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]pyridine-3-carboxamide |
| Molecular Weight: | 388.51 |
| Molecular Formula: | C18 H20 N4 O2 S2 |
| Smiles: | C1CCCc2c(CC1)c(C(N)=O)c(NC(NC(c1cccnc1)=O)=S)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.2452 |
| logD: | 2.0234 |
| logSw: | -2.522 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 76.862 |
| InChI Key: | TUPSNCGBQIRDRR-UHFFFAOYSA-N |