1-{4-[(3S)-7-(3-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[(3S)-7-(3-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl]piperidin-1-yl}ethan-1-one
1-{4-[(3S)-7-(3-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | SC09-0145 |
| Compound Name: | 1-{4-[(3S)-7-(3-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C24 H27 F N2 O3 |
| Smiles: | CC(N1CCC(CC1)C(N1Cc2cc(ccc2OC[C@@H]1C)c1cccc(c1)F)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.0216 |
| logD: | 4.0216 |
| logSw: | -4.1266 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.73 |
| InChI Key: | KAFJHKAHJWLFMB-MRXNPFEDSA-N |