rel-(8aR,12aS)-1-(2,3-dihydro-1H-indene-5-sulfonyl)dodecahydro-1,7-benzodiazecin-8(1H)-one
Chemical Structure Depiction of
rel-(8aR,12aS)-1-(2,3-dihydro-1H-indene-5-sulfonyl)dodecahydro-1,7-benzodiazecin-8(1H)-one
rel-(8aR,12aS)-1-(2,3-dihydro-1H-indene-5-sulfonyl)dodecahydro-1,7-benzodiazecin-8(1H)-one
Compound characteristics
| Compound ID: | S780-0259 |
| Compound Name: | rel-(8aR,12aS)-1-(2,3-dihydro-1H-indene-5-sulfonyl)dodecahydro-1,7-benzodiazecin-8(1H)-one |
| Molecular Weight: | 390.54 |
| Molecular Formula: | C21 H30 N2 O3 S |
| Smiles: | C1CCNC([C@@H]2CCCC[C@@H]2N(CC1)S(c1ccc2CCCc2c1)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 3.429 |
| logD: | 3.429 |
| logSw: | -3.6605 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.634 |
| InChI Key: | YXODYEGSQSJPQZ-UXHICEINSA-N |