(3S)-N-benzyl-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
(3S)-N-benzyl-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
(3S)-N-benzyl-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S979-0342 |
| Compound Name: | (3S)-N-benzyl-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 393.48 |
| Molecular Formula: | C23 H27 N3 O3 |
| Smiles: | C[C@H]1COc2ccc(cc2CN1C(NCc1ccccc1)=O)C(N1CCCC1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.1128 |
| logD: | 3.1128 |
| logSw: | -3.3382 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.771 |
| InChI Key: | OMYFOPADZZMGRU-KRWDZBQOSA-N |