N-{2-[(adamantan-1-yl)sulfanyl]ethyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide
Chemical Structure Depiction of
N-{2-[(adamantan-1-yl)sulfanyl]ethyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide
N-{2-[(adamantan-1-yl)sulfanyl]ethyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | 8019-5781 |
| Compound Name: | N-{2-[(adamantan-1-yl)sulfanyl]ethyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide |
| Molecular Weight: | 377.5 |
| Molecular Formula: | C19 H27 N3 O3 S |
| Smiles: | CN1C(=CC(N(C)C1=O)=O)C(NCCSC12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4342 |
| logD: | 2.4172 |
| logSw: | -2.5484 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.402 |
| InChI Key: | NYOAHAHBMPBXJH-UHFFFAOYSA-N |