N-[4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carbonyl]glycine
Chemical Structure Depiction of
N-[4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carbonyl]glycine
N-[4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carbonyl]glycine
Compound characteristics
| Compound ID: | Y042-8091 |
| Compound Name: | N-[4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carbonyl]glycine |
| Molecular Weight: | 411.89 |
| Molecular Formula: | C22 H22 Cl N3 O3 |
| Smiles: | C1CN(CCC1=C1c2ccc(cc2CCc2cccnc12)[Cl])C(NCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9883 |
| logD: | -0.551 |
| logSw: | -3.4491 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.303 |
| InChI Key: | PQROGMQNTCKCNK-UHFFFAOYSA-N |