(3S)-N-(2-methoxyethyl)-3-methyl-4-(pyrimidine-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
(3S)-N-(2-methoxyethyl)-3-methyl-4-(pyrimidine-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
(3S)-N-(2-methoxyethyl)-3-methyl-4-(pyrimidine-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | S979-0257 |
| Compound Name: | (3S)-N-(2-methoxyethyl)-3-methyl-4-(pyrimidine-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 370.41 |
| Molecular Formula: | C19 H22 N4 O4 |
| Smiles: | C[C@H]1COc2ccc(cc2CN1C(c1cncnc1)=O)C(NCCOC)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.5111 |
| logD: | 0.5111 |
| logSw: | -1.7388 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.233 |
| InChI Key: | ZGZWISYKXABSEW-ZDUSSCGKSA-N |