2-(3-chlorophenyl)-N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]acetamide
Chemical Structure Depiction of
2-(3-chlorophenyl)-N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]acetamide
2-(3-chlorophenyl)-N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]acetamide
Compound characteristics
| Compound ID: | S740-0195 |
| Compound Name: | 2-(3-chlorophenyl)-N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]acetamide |
| Molecular Weight: | 411.91 |
| Molecular Formula: | C18 H22 Cl N3 O4 S |
| Smiles: | C1CC1N1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NC(Cc1cccc(c1)[Cl])=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.9041 |
| logD: | 0.9031 |
| logSw: | -2.7073 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.698 |
| InChI Key: | BQYPKDCFHHQCGQ-GOEBONIOSA-N |