(3S)-N-(2-methoxyethyl)-3-methyl-4-(1,3,5-trimethyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
(3S)-N-(2-methoxyethyl)-3-methyl-4-(1,3,5-trimethyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
(3S)-N-(2-methoxyethyl)-3-methyl-4-(1,3,5-trimethyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | S979-0303 |
| Compound Name: | (3S)-N-(2-methoxyethyl)-3-methyl-4-(1,3,5-trimethyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 400.48 |
| Molecular Formula: | C21 H28 N4 O4 |
| Smiles: | Cc1c(C(N2Cc3cc(ccc3OC[C@@H]2C)C(NCCOC)=O)=O)c(C)n(C)n1 |
| Stereo: | ABSOLUTE |
| logP: | 0.9447 |
| logD: | 0.9447 |
| logSw: | -2.1894 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.322 |
| InChI Key: | VMVDWRWDTBCHPL-CYBMUJFWSA-N |