5-chloro-N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]thiophene-2-sulfonamide
Chemical Structure Depiction of
5-chloro-N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]thiophene-2-sulfonamide
5-chloro-N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]thiophene-2-sulfonamide
Compound characteristics
| Compound ID: | S740-0192 |
| Compound Name: | 5-chloro-N-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]thiophene-2-sulfonamide |
| Molecular Weight: | 439.96 |
| Molecular Formula: | C14 H18 Cl N3 O5 S3 |
| Smiles: | C1CC1N1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NS(c1ccc(s1)[Cl])(=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.8463 |
| logD: | 0.8461 |
| logSw: | -2.6193 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.488 |
| InChI Key: | HRFSYKQGOQIMKF-GXSJLCMTSA-N |