N-[4-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N'-ethylurea
Chemical Structure Depiction of
N-[4-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N'-ethylurea
N-[4-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N'-ethylurea
Compound characteristics
| Compound ID: | S555-1088 |
| Compound Name: | N-[4-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N'-ethylurea |
| Molecular Weight: | 394.45 |
| Molecular Formula: | C17 H22 N4 O5 S |
| Smiles: | CCNC(Nc1ccc2c(CN(CCO2)S(c2c(C)noc2C)(=O)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5642 |
| logD: | 1.5642 |
| logSw: | -2.7205 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.454 |
| InChI Key: | GMERULIFAAZLLQ-UHFFFAOYSA-N |