(3S)-3-methyl-N-propyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
(3S)-3-methyl-N-propyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
(3S)-3-methyl-N-propyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S979-0380 |
| Compound Name: | (3S)-3-methyl-N-propyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 345.44 |
| Molecular Formula: | C19 H27 N3 O3 |
| Smiles: | CCCNC(N1Cc2cc(ccc2OC[C@@H]1C)C(N1CCCC1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.8216 |
| logD: | 2.8216 |
| logSw: | -3.2223 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.884 |
| InChI Key: | RSGRFXQKEJAIGF-AWEZNQCLSA-N |