N-[2-(azepan-1-yl)ethyl]-4-oxo-6,7,8,9,10,11-hexahydro-4H-cycloocta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-4-oxo-6,7,8,9,10,11-hexahydro-4H-cycloocta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
N-[2-(azepan-1-yl)ethyl]-4-oxo-6,7,8,9,10,11-hexahydro-4H-cycloocta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | G595-1249 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-4-oxo-6,7,8,9,10,11-hexahydro-4H-cycloocta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 402.56 |
| Molecular Formula: | C21 H30 N4 O2 S |
| Smiles: | C1CCCC2=C(CC1)N1C(=NC=C(C(NCCN3CCCCCC3)=O)C1=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 2.5488 |
| logD: | 0.6612 |
| logSw: | -2.5537 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.523 |
| InChI Key: | KNADMDGBRZFTLP-UHFFFAOYSA-N |