1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[2-(pyrrolidin-1-yl)ethyl]prolinamide
Chemical Structure Depiction of
1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[2-(pyrrolidin-1-yl)ethyl]prolinamide
1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[2-(pyrrolidin-1-yl)ethyl]prolinamide
Compound characteristics
| Compound ID: | F632-1433 |
| Compound Name: | 1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[2-(pyrrolidin-1-yl)ethyl]prolinamide |
| Molecular Weight: | 456.95 |
| Molecular Formula: | C19 H25 Cl N4 O5 S |
| Smiles: | C1CCN(C1)CCNC(C1CCCN1S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5716 |
| logD: | -1.4517 |
| logSw: | -2.8114 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.66 |
| InChI Key: | DTHYTSKYNPUIFY-HNNXBMFYSA-N |