methyl 3-({[5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 3-({[5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
methyl 3-({[5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | V029-8849 |
| Compound Name: | methyl 3-({[5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C25 H24 N4 O2 S |
| Salt: | not_available |
| Smiles: | CCn1c(c2c3CCCc3nc3ccccc23)nnc1SCc1cccc(c1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.2477 |
| logD: | 5.2466 |
| logSw: | -5.4687 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.257 |
| InChI Key: | DRFBGRIOMTZEHO-UHFFFAOYSA-N |