N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1-phenylcyclopropane-1-carboxamide
Chemical Structure Depiction of
N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1-phenylcyclopropane-1-carboxamide
N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1-phenylcyclopropane-1-carboxamide
Compound characteristics
| Compound ID: | S740-0677 |
| Compound Name: | N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1-phenylcyclopropane-1-carboxamide |
| Molecular Weight: | 419.54 |
| Molecular Formula: | C21 H29 N3 O4 S |
| Smiles: | CC(C)CN1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NC(C1(CC1)c1ccccc1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.0779 |
| logD: | 1.0761 |
| logSw: | -2.2911 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.487 |
| InChI Key: | VXINKYLIRMVXIK-QZTJIDSGSA-N |