N-[8-chloro-11-(morpholin-4-yl)dibenzo[b,f][1,4]oxazepin-2-yl]-N'-(prop-2-en-1-yl)urea
Chemical Structure Depiction of
N-[8-chloro-11-(morpholin-4-yl)dibenzo[b,f][1,4]oxazepin-2-yl]-N'-(prop-2-en-1-yl)urea
N-[8-chloro-11-(morpholin-4-yl)dibenzo[b,f][1,4]oxazepin-2-yl]-N'-(prop-2-en-1-yl)urea
Compound characteristics
| Compound ID: | V010-0770 |
| Compound Name: | N-[8-chloro-11-(morpholin-4-yl)dibenzo[b,f][1,4]oxazepin-2-yl]-N'-(prop-2-en-1-yl)urea |
| Molecular Weight: | 412.87 |
| Molecular Formula: | C21 H21 Cl N4 O3 |
| Salt: | not_available |
| Smiles: | C=CCNC(Nc1ccc2c(c1)C(=Nc1cc(ccc1O2)[Cl])N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.369 |
| logD: | 3.3028 |
| logSw: | -3.9409 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.909 |
| InChI Key: | IKKHBKNHFZGBCP-UHFFFAOYSA-N |