methyl 2-[4-(1-propyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridine-1(2H)-sulfonyl]benzoate
Chemical Structure Depiction of
methyl 2-[4-(1-propyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridine-1(2H)-sulfonyl]benzoate
methyl 2-[4-(1-propyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridine-1(2H)-sulfonyl]benzoate
Compound characteristics
| Compound ID: | P114-1667 |
| Compound Name: | methyl 2-[4-(1-propyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridine-1(2H)-sulfonyl]benzoate |
| Molecular Weight: | 439.53 |
| Molecular Formula: | C23 H25 N3 O4 S |
| Smiles: | CCCn1cc(C2CCN(CC=2)S(c2ccccc2C(=O)OC)(=O)=O)c2cccnc12 |
| Stereo: | ACHIRAL |
| logP: | 3.7639 |
| logD: | 3.7634 |
| logSw: | -3.7246 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.74 |
| InChI Key: | MZTRGSYNCJXWON-UHFFFAOYSA-N |