(3S)-N-[(4-fluorophenyl)methyl]-3-methyl-7-(pyrimidin-5-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
(3S)-N-[(4-fluorophenyl)methyl]-3-methyl-7-(pyrimidin-5-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
(3S)-N-[(4-fluorophenyl)methyl]-3-methyl-7-(pyrimidin-5-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | SC09-0336 |
| Compound Name: | (3S)-N-[(4-fluorophenyl)methyl]-3-methyl-7-(pyrimidin-5-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 392.43 |
| Molecular Formula: | C22 H21 F N4 O2 |
| Smiles: | C[C@H]1COc2ccc(cc2CN1C(NCc1ccc(cc1)F)=O)c1cncnc1 |
| Stereo: | ABSOLUTE |
| logP: | 2.9891 |
| logD: | 2.9891 |
| logSw: | -3.0853 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.235 |
| InChI Key: | JIIIEEJHPHKPKX-HNNXBMFYSA-N |