N-[(8S,9aS)-2-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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: | S740-0140 |
| Compound Name: | N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-3-(2-methoxyphenyl)propanamide |
| Molecular Weight: | 421.51 |
| Molecular Formula: | C20 H27 N3 O5 S |
| Smiles: | COc1ccccc1CCC(N[C@H]1C[C@H]2C(N(C3CC3)S(CCN2C1)(=O)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.769 |
| logD: | 0.7681 |
| logSw: | -2.2089 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.328 |
| InChI Key: | HLUSZWSXTOCWIH-NVXWUHKLSA-N |