N-{2-[(adamantan-1-yl)sulfanyl]ethyl}-6-methoxy-3,4-dihydro-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-{2-[(adamantan-1-yl)sulfanyl]ethyl}-6-methoxy-3,4-dihydro-2H-1-benzopyran-3-carboxamide
N-{2-[(adamantan-1-yl)sulfanyl]ethyl}-6-methoxy-3,4-dihydro-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | G668-0678 |
| Compound Name: | N-{2-[(adamantan-1-yl)sulfanyl]ethyl}-6-methoxy-3,4-dihydro-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 401.57 |
| Molecular Formula: | C23 H31 N O3 S |
| Smiles: | COc1ccc2c(CC(CO2)C(NCCSC23CC4CC(CC(C4)C3)C2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6949 |
| logD: | 4.6949 |
| logSw: | -4.4731 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.44 |
| InChI Key: | GJSBLIVHZLIFFJ-UVLALUNPSA-N |