N-{3-[({5-[(azepan-1-yl)methyl]furan-2-yl}methyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-{3-[({5-[(azepan-1-yl)methyl]furan-2-yl}methyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-{3-[({5-[(azepan-1-yl)methyl]furan-2-yl}methyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | C799-0522 |
| Compound Name: | N-{3-[({5-[(azepan-1-yl)methyl]furan-2-yl}methyl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 469.6 |
| Molecular Formula: | C25 H31 N3 O4 S |
| Smiles: | CC1=C(C(Nc2cccc(c2)C(NCc2ccc(CN3CCCCCC3)o2)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 3.4494 |
| logD: | 1.3816 |
| logSw: | -3.6819 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.089 |
| InChI Key: | QQYCNEZPQNTSFH-UHFFFAOYSA-N |