N-[2-(azepan-1-yl)ethyl]-1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-4-carboxamide
N-[2-(azepan-1-yl)ethyl]-1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | F184-1426 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-4-carboxamide |
| Molecular Weight: | 499.03 |
| Molecular Formula: | C22 H31 Cl N4 O5 S |
| Smiles: | C1CCCN(CC1)CCNC(C1CCN(CC1)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6382 |
| logD: | -0.1444 |
| logSw: | -2.9386 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.788 |
| InChI Key: | DZHJFZGTXYIIDE-UHFFFAOYSA-N |