N-[4-(cyclopent-3-ene-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N'-ethylurea
Chemical Structure Depiction of
N-[4-(cyclopent-3-ene-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N'-ethylurea
N-[4-(cyclopent-3-ene-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N'-ethylurea
Compound characteristics
| Compound ID: | S555-0878 |
| Compound Name: | N-[4-(cyclopent-3-ene-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N'-ethylurea |
| Molecular Weight: | 329.4 |
| Molecular Formula: | C18 H23 N3 O3 |
| Smiles: | CCNC(Nc1ccc2c(CN(CCO2)C(C2CC=CC2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4995 |
| logD: | 2.4995 |
| logSw: | -3.0398 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.911 |
| InChI Key: | FZVJWCMYSRBNRV-UHFFFAOYSA-N |