N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-N'-(2-phenylethyl)urea
Chemical Structure Depiction of
N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-N'-(2-phenylethyl)urea
N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-N'-(2-phenylethyl)urea
Compound characteristics
| Compound ID: | S740-0686 |
| Compound Name: | N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-N'-(2-phenylethyl)urea |
| Molecular Weight: | 422.55 |
| Molecular Formula: | C20 H30 N4 O4 S |
| Smiles: | CC(C)CN1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NC(NCCc1ccccc1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.6151 |
| logD: | 0.5732 |
| logSw: | -2.1996 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.61 |
| InChI Key: | SADNAFCLPUKTQJ-QZTJIDSGSA-N |