1,3-dimethyl-N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
1,3-dimethyl-N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1H-pyrazole-5-carboxamide
1,3-dimethyl-N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | S740-0662 |
| Compound Name: | 1,3-dimethyl-N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C17 H27 N5 O4 S |
| Smiles: | CC(C)CN1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NC(c1cc(C)nn1C)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.7583 |
| logD: | -0.7586 |
| logSw: | -1.8837 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.557 |
| InChI Key: | DPQMXJLZXOQLMG-UKRRQHHQSA-N |