6-methyl-N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]pyridine-3-carboxamide
Chemical Structure Depiction of
6-methyl-N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]pyridine-3-carboxamide
6-methyl-N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | S740-0634 |
| Compound Name: | 6-methyl-N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]pyridine-3-carboxamide |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C18 H26 N4 O4 S |
| Smiles: | CC(C)CN1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NC(c1ccc(C)nc1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.1785 |
| logD: | 0.1784 |
| logSw: | -2.1807 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.179 |
| InChI Key: | MJXQPWXRMUHBCR-HZPDHXFCSA-N |