(3S)-4-(1-ethyl-5-methyl-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-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-N-(2-methoxyethyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
(3S)-4-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-N-(2-methoxyethyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | S979-0283 |
| Compound Name: | (3S)-4-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-N-(2-methoxyethyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 400.48 |
| Molecular Formula: | C21 H28 N4 O4 |
| Smiles: | CCn1c(C)c(cn1)C(N1Cc2cc(ccc2OC[C@@H]1C)C(NCCOC)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.7354 |
| logD: | 1.7354 |
| logSw: | -2.4935 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.408 |
| InChI Key: | LBRSSOCYANBQCI-CQSZACIVSA-N |