N-{2-[(adamantan-1-yl)sulfanyl]ethyl}-2-benzyl-1,3-benzoxazole-6-carboxamide
Chemical Structure Depiction of
N-{2-[(adamantan-1-yl)sulfanyl]ethyl}-2-benzyl-1,3-benzoxazole-6-carboxamide
N-{2-[(adamantan-1-yl)sulfanyl]ethyl}-2-benzyl-1,3-benzoxazole-6-carboxamide
Compound characteristics
| Compound ID: | G706-1012 |
| Compound Name: | N-{2-[(adamantan-1-yl)sulfanyl]ethyl}-2-benzyl-1,3-benzoxazole-6-carboxamide |
| Molecular Weight: | 446.61 |
| Molecular Formula: | C27 H30 N2 O2 S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)SCCNC(c1ccc2c(c1)oc(Cc1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0171 |
| logD: | 6.0171 |
| logSw: | -6.1101 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.002 |
| InChI Key: | IEMQNZRHOVCNEH-UHFFFAOYSA-N |