N-{2-[(adamantan-1-yl)oxy]ethyl}-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Chemical Structure Depiction of
N-{2-[(adamantan-1-yl)oxy]ethyl}-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
N-{2-[(adamantan-1-yl)oxy]ethyl}-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Compound characteristics
| Compound ID: | C909-0523 |
| Compound Name: | N-{2-[(adamantan-1-yl)oxy]ethyl}-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide |
| Molecular Weight: | 457.61 |
| Molecular Formula: | C24 H27 N O4 S2 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)OCCNC(c1cc2CS(c3ccccc3c2s1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9014 |
| logD: | 4.9014 |
| logSw: | -4.8844 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.947 |
| InChI Key: | UMHRZYNRTBVXED-UHFFFAOYSA-N |