(3S)-N-(2-methoxyethyl)-3-methyl-4-(1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
(3S)-N-(2-methoxyethyl)-3-methyl-4-(1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
(3S)-N-(2-methoxyethyl)-3-methyl-4-(1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | S979-0233 |
| Compound Name: | (3S)-N-(2-methoxyethyl)-3-methyl-4-(1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 358.4 |
| Molecular Formula: | C18 H22 N4 O4 |
| Smiles: | C[C@H]1COc2ccc(cc2CN1C(c1cc[nH]n1)=O)C(NCCOC)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.188 |
| logD: | 1.188 |
| logSw: | -2.2776 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.084 |
| InChI Key: | MGNGTJDUTWNYQA-GFCCVEGCSA-N |