N-[(11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-[(11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]thiophene-2-carboxamide
N-[(11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | Y042-6464 |
| Compound Name: | N-[(11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]thiophene-2-carboxamide |
| Molecular Weight: | 341.39 |
| Molecular Formula: | C17 H15 N3 O3 S |
| Smiles: | C1C[C@H]2C(Nc3ccc(cc3C(N2C1)=O)NC(c1cccs1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.9192 |
| logD: | 1.8396 |
| logSw: | -2.8483 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.158 |
| InChI Key: | RWYCMBNYVPKVBX-CYBMUJFWSA-N |