N-(5-chloro-2-methoxyphenyl)-2-{[(1-methyl-1H-pyrrol-2-yl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-{[(1-methyl-1H-pyrrol-2-yl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
N-(5-chloro-2-methoxyphenyl)-2-{[(1-methyl-1H-pyrrol-2-yl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | K801-0415 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-{[(1-methyl-1H-pyrrol-2-yl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 429.97 |
| Molecular Formula: | C22 H24 Cl N3 O2 S |
| Smiles: | Cn1cccc1CNc1c(C(Nc2cc(ccc2OC)[Cl])=O)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.3183 |
| logD: | 5.3085 |
| logSw: | -5.9695 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 43.11 |
| InChI Key: | UOLXHLIEINIMSD-UHFFFAOYSA-N |