6-chloro-N-{3-[(3-methoxypropyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
6-chloro-N-{3-[(3-methoxypropyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-4-oxo-4H-1-benzopyran-2-carboxamide
6-chloro-N-{3-[(3-methoxypropyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1256 |
| Compound Name: | 6-chloro-N-{3-[(3-methoxypropyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 474.96 |
| Molecular Formula: | C23 H23 Cl N2 O5 S |
| Smiles: | [H]N(C(C1=CC(c2cc(ccc2O1)[Cl])=O)=O)c1c(C(NCCCOC)=O)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.1116 |
| logD: | 1.6761 |
| logSw: | -4.8201 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.732 |
| InChI Key: | KCCDJSYHCLOYBJ-UHFFFAOYSA-N |