200,000+ products from a single source!
sales@angenechem.com
131403-82-2 | Carbamic acid, N,N-dimethyl-, 6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl ester
CAS No: 131403-82-2 Catalog No: AG000W4D MDL No:
Product Description
Catalog Number:
AG000W4D
Chemical Name:
Carbamic acid, N,N-dimethyl-, 6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl ester
CAS Number:
131403-82-2
Molecular Formula:
C22H20N2O3S
Molecular Weight:
392.4708
IUPAC Name:
[6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] N,N-dimethylcarbamate
InChI:
InChI=1S/C22H20N2O3S/c1-23(2)22(25)27-20-18-8-6-14-24(18)17-7-4-5-9-19(17)28-21(20)15-10-12-16(26-3)13-11-15/h4-14H,1-3H3
InChI Key:
RGAJIKNGJBAVQP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1=C(OC(=O)N(C)C)c2cccn2c2c(S1)cccc2
Properties
Complexity:
601
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.119g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.473g/mol
Monoisotopic Mass:
392.119g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.