N-{2-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]ethyl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
Chemical Structure Depiction of
N-{2-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]ethyl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
N-{2-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]ethyl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
Compound characteristics
| Compound ID: | D756-0015 |
| Compound Name: | N-{2-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]ethyl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide |
| Molecular Weight: | 394.39 |
| Molecular Formula: | C20 H18 N4 O5 |
| Smiles: | C(CNC(c1ccc2c(c1)NC(CO2)=O)=O)[C@H]1C(Nc2ccccc2C(N1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.7591 |
| logD: | 0.7486 |
| logSw: | -2.369 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 108.747 |
| InChI Key: | KPYWOYLWWKWEKM-AWEZNQCLSA-N |