2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C700-1359 |
| Compound Name: | 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one |
| Molecular Weight: | 307.41 |
| Molecular Formula: | C15 H21 N3 O2 S |
| Smiles: | C1CCCN(CC1)C(CSC1NC(C2CCCC=2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4062 |
| logD: | 1.191 |
| logSw: | -1.9668 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.561 |
| InChI Key: | NNKRMRBJVBZBTH-UHFFFAOYSA-N |