N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2,4-dimethylbenzamide
Chemical Structure Depiction of
N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2,4-dimethylbenzamide
N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2,4-dimethylbenzamide
Compound characteristics
| Compound ID: | S740-0255 |
| Compound Name: | N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2,4-dimethylbenzamide |
| Molecular Weight: | 423.53 |
| Molecular Formula: | C20 H29 N3 O5 S |
| Smiles: | Cc1ccc(C(N[C@H]2C[C@H]3C(N(CCCOC)S(CCN3C2)(=O)=O)=O)=O)c(C)c1 |
| Stereo: | ABSOLUTE |
| logP: | 0.7591 |
| logD: | 0.7591 |
| logSw: | -2.4103 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.556 |
| InChI Key: | NCTZOGJUBUPVHQ-SJLPKXTDSA-N |