methyl 4-chloro-2-({[6-methyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]methyl}carbamamido)benzoate
Chemical Structure Depiction of
methyl 4-chloro-2-({[6-methyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]methyl}carbamamido)benzoate
methyl 4-chloro-2-({[6-methyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]methyl}carbamamido)benzoate
Compound characteristics
| Compound ID: | E635-0043 |
| Compound Name: | methyl 4-chloro-2-({[6-methyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]methyl}carbamamido)benzoate |
| Molecular Weight: | 458.97 |
| Molecular Formula: | C22 H23 Cl N4 O3 S |
| Smiles: | CN1CCc2c(CNC(Nc3cc(ccc3C(=O)OC)[Cl])=O)c(n3cccc3)sc2C1 |
| Stereo: | ACHIRAL |
| logP: | 4.0066 |
| logD: | 2.2427 |
| logSw: | -4.5631 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.725 |
| InChI Key: | NZZHQDMBMXHBKP-UHFFFAOYSA-N |