(3R)-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-methyl-7-(pyrimidin-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
(3R)-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-methyl-7-(pyrimidin-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
(3R)-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-methyl-7-(pyrimidin-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | SC09-0234 |
| Compound Name: | (3R)-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-methyl-7-(pyrimidin-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 389.45 |
| Molecular Formula: | C23 H23 N3 O3 |
| Smiles: | C[C@@H]1COc2ccc(cc2CN1Cc1ccc2c(c1)OCCO2)c1cncnc1 |
| Stereo: | ABSOLUTE |
| logP: | 2.3413 |
| logD: | 1.1483 |
| logSw: | -2.4882 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.165 |
| InChI Key: | SIOXTLZLURMXRQ-MRXNPFEDSA-N |