N-benzyl-4-(pyrimidine-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
N-benzyl-4-(pyrimidine-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
N-benzyl-4-(pyrimidine-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0270 |
| Compound Name: | N-benzyl-4-(pyrimidine-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 388.42 |
| Molecular Formula: | C22 H20 N4 O3 |
| Smiles: | C(c1ccccc1)NC(c1ccc2c(CN(CCO2)C(c2cncnc2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3191 |
| logD: | 1.3191 |
| logSw: | -2.0143 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.994 |
| InChI Key: | NMYZTYNYIVNZGK-UHFFFAOYSA-N |