ethyl (2-{2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]acetamido}-1,3-thiazol-4-yl)acetate
Chemical Structure Depiction of
ethyl (2-{2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]acetamido}-1,3-thiazol-4-yl)acetate
ethyl (2-{2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]acetamido}-1,3-thiazol-4-yl)acetate
Compound characteristics
| Compound ID: | Y042-5588 |
| Compound Name: | ethyl (2-{2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]acetamido}-1,3-thiazol-4-yl)acetate |
| Molecular Weight: | 442.49 |
| Molecular Formula: | C21 H22 N4 O5 S |
| Smiles: | CCOC(Cc1csc(NC(CN2C([C@@H]3CCCN3C(c3ccccc23)=O)=O)=O)n1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.3518 |
| logD: | 1.3488 |
| logSw: | -2.6583 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.123 |
| InChI Key: | PLHFVCVNUQGRTQ-INIZCTEOSA-N |