N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-N'-(3-methylbutyl)urea
Chemical Structure Depiction of
N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-N'-(3-methylbutyl)urea
N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-N'-(3-methylbutyl)urea
Compound characteristics
| Compound ID: | S740-1332 |
| Compound Name: | N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-N'-(3-methylbutyl)urea |
| Molecular Weight: | 404.53 |
| Molecular Formula: | C17 H32 N4 O5 S |
| Smiles: | CC(C)CCNC(N[C@H]1C[C@H]2C(N(CCCOC)S(CCN2C1)(=O)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.4242 |
| logD: | -0.4326 |
| logSw: | -1.5371 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.203 |
| InChI Key: | MZRSWISKIUPQCO-HUUCEWRRSA-N |