(3S)-3-methyl-7-[(morpholin-4-yl)methyl]-N-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
(3S)-3-methyl-7-[(morpholin-4-yl)methyl]-N-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
(3S)-3-methyl-7-[(morpholin-4-yl)methyl]-N-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S978-0285 |
| Compound Name: | (3S)-3-methyl-7-[(morpholin-4-yl)methyl]-N-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 409.53 |
| Molecular Formula: | C24 H31 N3 O3 |
| Smiles: | C[C@H]1COc2ccc(CN3CCOCC3)cc2CN1C(NCCc1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.2655 |
| logD: | 3.2035 |
| logSw: | -3.3739 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.239 |
| InChI Key: | LZXZUBKIZQGRBH-IBGZPJMESA-N |