N-(2-methoxyethyl)-N'-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]urea
Chemical Structure Depiction of
N-(2-methoxyethyl)-N'-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]urea
N-(2-methoxyethyl)-N'-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]urea
Compound characteristics
| Compound ID: | S740-1335 |
| Compound Name: | N-(2-methoxyethyl)-N'-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]urea |
| Molecular Weight: | 392.47 |
| Molecular Formula: | C15 H28 N4 O6 S |
| Smiles: | COCCCN1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NC(NCCOC)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -1.9578 |
| logD: | -1.9662 |
| logSw: | -1.4168 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.545 |
| InChI Key: | POMIRUQMSUTVGT-CHWSQXEVSA-N |