10-cyclopentyl-7-[5-(2-methyl-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
10-cyclopentyl-7-[5-(2-methyl-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
10-cyclopentyl-7-[5-(2-methyl-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
Compound ID: | G946-0681 |
Compound Name: | 10-cyclopentyl-7-[5-(2-methyl-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]dibenzo[b,f][1,4]thiazepin-11(10H)-one |
Molecular Weight: | 498.56 |
Molecular Formula: | C27 H22 N4 O4 S |
Smiles: | Cc1c(cccc1[N+]([O-])=O)c1nc(c2ccc3c(c2)Sc2ccccc2C(N3C2CCCC2)=O)no1 |
Stereo: | ACHIRAL |
logP: | 6.8395 |
logD: | 6.8395 |
logSw: | -5.655 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 79.475 |
InChI Key: | UOOILGBXXQRAMI-UHFFFAOYSA-N |