(3S)-3-methyl-N-(3-methylbutyl)-7-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
(3S)-3-methyl-N-(3-methylbutyl)-7-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
(3S)-3-methyl-N-(3-methylbutyl)-7-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S979-0500 |
| Compound Name: | (3S)-3-methyl-N-(3-methylbutyl)-7-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 389.49 |
| Molecular Formula: | C21 H31 N3 O4 |
| Smiles: | CC(C)CCNC(N1Cc2cc(ccc2OC[C@@H]1C)C(N1CCOCC1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.7509 |
| logD: | 2.7509 |
| logSw: | -3.2049 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.427 |
| InChI Key: | AYIGNIDGPYAHGE-INIZCTEOSA-N |