N-butyl-4-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
N-butyl-4-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
N-butyl-4-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
Compound ID: | C700-0400 |
Compound Name: | N-butyl-4-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
Molecular Weight: | 374.93 |
Molecular Formula: | C20 H23 Cl N2 O S |
Smiles: | CCCCNC(c1ccc2c(c1)N(CCS2)Cc1ccc(cc1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 4.8004 |
logD: | 4.8004 |
logSw: | -4.8757 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 27.3276 |
InChI Key: | UCZRSQFKWCYAOY-UHFFFAOYSA-N |