1156-19-0
Product Name:
TOLAZAMIDE
Formula:
C14H21N3O3S
Synonyms:
1-(Hexahydro-1H-azepin-1-yl)-3-(p-toluenesulfonyl)urea
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Tolazamide appears as white to off-white crystalline powder. Odorless or with a slight odor. (NTP, 1992) |
---|---|
Color/Form | Crystals |
Odor | ODORLESS OR HAS SLIGHT ODOR |
Melting Point | 322 to 336 °F (with decomposition) (NTP, 1992) |
Solubility | less than 1 mg/mL at 77 °F (NTP, 1992) |
LogP | 2.69 |
LogS | -3.68 |
Dissociation Constants | PKA @ 25 °C, 3.6; PKA @ 37.5 °C, 5.68 |
Collision Cross Section | 173.3 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
COMPUTED DESCRIPTORS
Molecular Weight | 311.40 g/mol |
---|---|
XLogP3 | 1.5 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 3 |
Exact Mass | 311.13036271 g/mol |
Monoisotopic Mass | 311.13036271 g/mol |
Topological Polar Surface Area | 86.9 Ų |
Heavy Atom Count | 21 |
Formal Charge | 0 |
Complexity | 431 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Tolazamide appears as white to off-white crystalline powder. Odorless or with a slight odor. (NTP, 1992)