N-ethyl-N'-[4-(1-methyl-1H-imidazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]urea
Chemical Structure Depiction of
N-ethyl-N'-[4-(1-methyl-1H-imidazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]urea
N-ethyl-N'-[4-(1-methyl-1H-imidazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]urea
Compound characteristics
| Compound ID: | S555-1078 |
| Compound Name: | N-ethyl-N'-[4-(1-methyl-1H-imidazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]urea |
| Molecular Weight: | 379.44 |
| Molecular Formula: | C16 H21 N5 O4 S |
| Smiles: | CCNC(Nc1ccc2c(CN(CCO2)S(c2cn(C)cn2)(=O)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.971 |
| logD: | 0.971 |
| logSw: | -2.489 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.827 |
| InChI Key: | ZKVDELVJQDOAFB-UHFFFAOYSA-N |