N-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanamide
Chemical Structure Depiction of
N-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanamide
N-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanamide
Compound characteristics
| Compound ID: | Y042-6448 |
| Compound Name: | N-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanamide |
| Molecular Weight: | 450.47 |
| Molecular Formula: | C22 H18 N4 O5 S |
| Smiles: | C(C[C@H]1C(Nc2ccccc2C(N1)=O)=O)C(Nc1nc(cs1)c1ccc2c(c1)OCO2)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.6937 |
| logD: | 3.6832 |
| logSw: | -4.1483 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.99 |
| InChI Key: | PXQDBPZHRNOOPB-HNNXBMFYSA-N |