(3R)-3-methyl-4-(phenylmethanesulfonyl)-7-(pyrimidin-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
(3R)-3-methyl-4-(phenylmethanesulfonyl)-7-(pyrimidin-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
(3R)-3-methyl-4-(phenylmethanesulfonyl)-7-(pyrimidin-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | SC09-0229 |
| Compound Name: | (3R)-3-methyl-4-(phenylmethanesulfonyl)-7-(pyrimidin-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C21 H21 N3 O3 S |
| Smiles: | C[C@@H]1COc2ccc(cc2CN1S(Cc1ccccc1)(=O)=O)c1cncnc1 |
| Stereo: | ABSOLUTE |
| logP: | 2.6502 |
| logD: | 2.6502 |
| logSw: | -3.0568 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.826 |
| InChI Key: | IXUQUUCIBFMCCB-MRXNPFEDSA-N |