4-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-[(pyridin-3-yl)methyl]-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one
Chemical Structure Depiction of
4-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-[(pyridin-3-yl)methyl]-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one
4-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-[(pyridin-3-yl)methyl]-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one
Compound characteristics
| Compound ID: | G857-0421 |
| Compound Name: | 4-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-[(pyridin-3-yl)methyl]-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one |
| Molecular Weight: | 398.53 |
| Molecular Formula: | C21 H26 N4 O2 S |
| Smiles: | C1CCCN(CC1)C(CSC1C2CCCC=2N(Cc2cccnc2)C(N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2652 |
| logD: | 2.2651 |
| logSw: | -2.0651 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.727 |
| InChI Key: | SUEZBXOKOHBIHA-UHFFFAOYSA-N |