N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]acetamide
Chemical Structure Depiction of
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]acetamide
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]acetamide
Compound characteristics
| Compound ID: | Y042-5591 |
| Compound Name: | N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]acetamide |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C21 H24 N4 O3 S |
| Smiles: | CC(C)(C)c1csc(NC(CN2C([C@@H]3CCCN3C(c3ccccc23)=O)=O)=O)n1 |
| Stereo: | ABSOLUTE |
| logP: | 2.6035 |
| logD: | 2.5952 |
| logSw: | -3.4322 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.469 |
| InChI Key: | IGGBGSLMFVVKAF-HNNXBMFYSA-N |