N-[(8S,9aS)-2-(3-methoxypropyl)-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-(3-methoxypropyl)-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-(3-methoxypropyl)-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: | S740-0273 |
| 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'-(2-phenylethyl)urea |
| Molecular Weight: | 438.54 |
| Molecular Formula: | C20 H30 N4 O5 S |
| Smiles: | COCCCN1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NC(NCCc1ccccc1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.5171 |
| logD: | -0.5255 |
| logSw: | -1.9889 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.931 |
| InChI Key: | IPGFSHCQUIYMEZ-QZTJIDSGSA-N |