N-ethyl-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-ethyl-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-ethyl-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: | S740-1077 |
| Compound Name: | N-ethyl-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: | 362.45 |
| Molecular Formula: | C14 H26 N4 O5 S |
| Smiles: | CCNC(N[C@H]1C[C@H]2C(N(CCCOC)S(CCN2C1)(=O)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -1.5873 |
| logD: | -1.5957 |
| logSw: | -1.5013 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.987 |
| InChI Key: | HSIIOAAOFGPISJ-VXGBXAGGSA-N |