N-[3-(azepan-1-yl)propyl]-4-oxo-4H-thieno[3,2-c][1]benzopyran-2-carboxamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-4-oxo-4H-thieno[3,2-c][1]benzopyran-2-carboxamide
N-[3-(azepan-1-yl)propyl]-4-oxo-4H-thieno[3,2-c][1]benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | K999-0186 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-4-oxo-4H-thieno[3,2-c][1]benzopyran-2-carboxamide |
| Molecular Weight: | 384.5 |
| Molecular Formula: | C21 H24 N2 O3 S |
| Smiles: | C1CCCN(CC1)CCCNC(c1cc2C(=O)Oc3ccccc3c2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.703 |
| logD: | 1.1323 |
| logSw: | -3.953 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.475 |
| InChI Key: | NTLNMMYGZWBNQR-UHFFFAOYSA-N |