N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2-(1H-indol-3-yl)acetamide
Chemical Structure Depiction of
N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2-(1H-indol-3-yl)acetamide
N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2-(1H-indol-3-yl)acetamide
Compound characteristics
| Compound ID: | S740-0113 |
| Compound Name: | N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2-(1H-indol-3-yl)acetamide |
| Molecular Weight: | 416.5 |
| Molecular Formula: | C20 H24 N4 O4 S |
| Smiles: | C1CC1N1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NC(Cc1c[nH]c2ccccc12)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.5069 |
| logD: | 0.5059 |
| logSw: | -2.245 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.568 |
| InChI Key: | BTUQGSBLJODYRI-RDTXWAMCSA-N |