(3S)-4-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-N-(2-methoxyethyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
(3S)-4-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-N-(2-methoxyethyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
(3S)-4-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-N-(2-methoxyethyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | S979-0302 |
| Compound Name: | (3S)-4-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-N-(2-methoxyethyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 386.45 |
| Molecular Formula: | C20 H26 N4 O4 |
| Smiles: | Cc1c(cn(C)n1)C(N1Cc2cc(ccc2OC[C@@H]1C)C(NCCOC)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.0844 |
| logD: | 1.0844 |
| logSw: | -2.3526 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.645 |
| InChI Key: | WDUGFPHZPIYFQL-CYBMUJFWSA-N |