(3S)-4-[(4-ethylphenyl)methyl]-3-methyl-7-(pyrimidin-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
(3S)-4-[(4-ethylphenyl)methyl]-3-methyl-7-(pyrimidin-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
(3S)-4-[(4-ethylphenyl)methyl]-3-methyl-7-(pyrimidin-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | SC09-0367 |
| Compound Name: | (3S)-4-[(4-ethylphenyl)methyl]-3-methyl-7-(pyrimidin-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 359.47 |
| Molecular Formula: | C23 H25 N3 O |
| Smiles: | CCc1ccc(CN2Cc3cc(ccc3OC[C@@H]2C)c2cncnc2)cc1 |
| Stereo: | ABSOLUTE |
| logP: | 4.2613 |
| logD: | 3.6275 |
| logSw: | -4.0801 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.342 |
| InChI Key: | KATCFUBHPSVKPS-KRWDZBQOSA-N |