3-{[4-(azepane-1-carbonyl)cyclohexyl]methyl}-1-benzylthieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-{[4-(azepane-1-carbonyl)cyclohexyl]methyl}-1-benzylthieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
3-{[4-(azepane-1-carbonyl)cyclohexyl]methyl}-1-benzylthieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | G346-0478 |
| Compound Name: | 3-{[4-(azepane-1-carbonyl)cyclohexyl]methyl}-1-benzylthieno[3,2-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 479.64 |
| Molecular Formula: | C27 H33 N3 O3 S |
| Smiles: | C1CCCN(CC1)C(C1CCC(CC1)CN1C(c2c(ccs2)N(Cc2ccccc2)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7749 |
| logD: | 5.7749 |
| logSw: | -5.7351 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.457 |
| InChI Key: | KBKWPPOFNDPLPV-UHFFFAOYSA-N |