2-{[2-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Chemical Structure Depiction of
2-{[2-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
2-{[2-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | 6456-0393 |
| Compound Name: | 2-{[2-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid |
| Molecular Weight: | 390.46 |
| Molecular Formula: | C22 H18 N2 O3 S |
| Smiles: | C1Cc2ccccc2N(C(CSc2c(cccn2)C(O)=O)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.3817 |
| logD: | 2.2834 |
| logSw: | -4.2733 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.261 |
| InChI Key: | VNWRPTKJKCMSSF-UHFFFAOYSA-N |