3-{[4-(azepane-1-carbonyl)cyclohexyl]methyl}-1-[(3-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-{[4-(azepane-1-carbonyl)cyclohexyl]methyl}-1-[(3-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
3-{[4-(azepane-1-carbonyl)cyclohexyl]methyl}-1-[(3-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | G346-0477 |
| Compound Name: | 3-{[4-(azepane-1-carbonyl)cyclohexyl]methyl}-1-[(3-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 493.67 |
| Molecular Formula: | C28 H35 N3 O3 S |
| Smiles: | Cc1cccc(CN2C(N(CC3CCC(CC3)C(N3CCCCCC3)=O)C(c3c2ccs3)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.4215 |
| logD: | 6.4215 |
| logSw: | -5.4808 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.457 |
| InChI Key: | KARQUUYSPRBIGF-UHFFFAOYSA-N |