2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
Chemical Structure Depiction of
2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
Compound characteristics
| Compound ID: | Y043-2884 |
| Compound Name: | 2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide |
| Molecular Weight: | 401.44 |
| Molecular Formula: | C18 H19 N5 O4 S |
| Smiles: | COCc1nnc(NC(CN2C([C@@H]3CCCN3C(c3ccccc23)=O)=O)=O)s1 |
| Stereo: | ABSOLUTE |
| logP: | 0.3144 |
| logD: | 0.2386 |
| logSw: | -2.4496 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.886 |
| InChI Key: | IAUWNKPRJHEVNP-ZDUSSCGKSA-N |