3-(1H-indol-3-yl)-N-[(8S,9aS)-1,3,3-trioxo-2-propyloctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]propanamide
Chemical Structure Depiction of
3-(1H-indol-3-yl)-N-[(8S,9aS)-1,3,3-trioxo-2-propyloctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]propanamide
3-(1H-indol-3-yl)-N-[(8S,9aS)-1,3,3-trioxo-2-propyloctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]propanamide
Compound characteristics
| Compound ID: | S740-0897 |
| Compound Name: | 3-(1H-indol-3-yl)-N-[(8S,9aS)-1,3,3-trioxo-2-propyloctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]propanamide |
| Molecular Weight: | 432.54 |
| Molecular Formula: | C21 H28 N4 O4 S |
| Smiles: | CCCN1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NC(CCc1c[nH]c2ccccc12)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.7702 |
| logD: | 0.77 |
| logSw: | -2.2674 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.871 |
| InChI Key: | XORGGYNCOGWNDS-VQIMIIECSA-N |