(3S)-3-methyl-N-(3-methylbutyl)-7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
(3S)-3-methyl-N-(3-methylbutyl)-7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
(3S)-3-methyl-N-(3-methylbutyl)-7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S978-0288 |
| Compound Name: | (3S)-3-methyl-N-(3-methylbutyl)-7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 375.51 |
| Molecular Formula: | C21 H33 N3 O3 |
| Smiles: | CC(C)CCNC(N1Cc2cc(CN3CCOCC3)ccc2OC[C@@H]1C)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.3584 |
| logD: | 3.2964 |
| logSw: | -3.3625 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.511 |
| InChI Key: | VUWASUMBJHOSPC-KRWDZBQOSA-N |