rel-(8aR,12aS)-1-(methanesulfonyl)-4-(1-methyl-1H-indazole-3-carbonyl)dodecahydro-1,4,7-benzotriazecin-8(1H)-one
Chemical Structure Depiction of
rel-(8aR,12aS)-1-(methanesulfonyl)-4-(1-methyl-1H-indazole-3-carbonyl)dodecahydro-1,4,7-benzotriazecin-8(1H)-one
rel-(8aR,12aS)-1-(methanesulfonyl)-4-(1-methyl-1H-indazole-3-carbonyl)dodecahydro-1,4,7-benzotriazecin-8(1H)-one
Compound characteristics
| Compound ID: | SB83-0795 |
| Compound Name: | rel-(8aR,12aS)-1-(methanesulfonyl)-4-(1-methyl-1H-indazole-3-carbonyl)dodecahydro-1,4,7-benzotriazecin-8(1H)-one |
| Molecular Weight: | 447.56 |
| Molecular Formula: | C21 H29 N5 O4 S |
| Smiles: | Cn1c2ccccc2c(C(N2CCNC([C@H]3CCCC[C@H]3N(CC2)S(C)(=O)=O)=O)=O)n1 |
| Stereo: | RELATIVE |
| logP: | 0.4673 |
| logD: | 0.4673 |
| logSw: | -2.3484 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.104 |
| InChI Key: | BOYYQFLZAPHTOM-AEFFLSMTSA-N |