N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-3-(2-methoxyphenyl)propanamide
Chemical Structure Depiction of
N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-3-(2-methoxyphenyl)propanamide
N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-3-(2-methoxyphenyl)propanamide
Compound characteristics
| Compound ID: | S740-0732 |
| Compound Name: | N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-3-(2-methoxyphenyl)propanamide |
| Molecular Weight: | 439.53 |
| Molecular Formula: | C20 H29 N3 O6 S |
| Smiles: | COCCN1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NC(CCc1ccccc1OC)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.2156 |
| logD: | -0.2157 |
| logSw: | -2.1381 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.973 |
| InChI Key: | WOIZLAADLGWKIG-IAGOWNOFSA-N |