N-{2-[(adamantan-1-yl)sulfanyl]ethyl}-5-(2,3-dihydro-4H-1,4-benzoxazin-4-yl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-{2-[(adamantan-1-yl)sulfanyl]ethyl}-5-(2,3-dihydro-4H-1,4-benzoxazin-4-yl)thiophene-2-carboxamide
N-{2-[(adamantan-1-yl)sulfanyl]ethyl}-5-(2,3-dihydro-4H-1,4-benzoxazin-4-yl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | C798-1039 |
| Compound Name: | N-{2-[(adamantan-1-yl)sulfanyl]ethyl}-5-(2,3-dihydro-4H-1,4-benzoxazin-4-yl)thiophene-2-carboxamide |
| Molecular Weight: | 454.65 |
| Molecular Formula: | C25 H30 N2 O2 S2 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)SCCNC(c1ccc(N2CCOc3ccccc23)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9529 |
| logD: | 5.9529 |
| logSw: | -5.9278 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.965 |
| InChI Key: | BMPPDSNGYNYHRO-UHFFFAOYSA-N |