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89258-18-4 | 2-ACETYL-10-(((3-CHLORO-2-(4-HYDROXYPHENYL)-4-OXO-1-AZETIDINYL)AMINO)ACETYL)-10H-PHENOTHIAZINE
CAS No: 89258-18-4 Catalog No: AG0041Z5 MDL No:
Product Description
Catalog Number:
AG0041Z5
Chemical Name:
2-ACETYL-10-(((3-CHLORO-2-(4-HYDROXYPHENYL)-4-OXO-1-AZETIDINYL)AMINO)ACETYL)-10H-PHENOTHIAZINE
CAS Number:
89258-18-4
Molecular Formula:
C25H20ClN3O4S
Molecular Weight:
493.9620
IUPAC Name:
1-[[2-(2-acetylphenothiazin-10-yl)-2-oxoethyl]amino]-3-chloro-4-(4-hydroxyphenyl)azetidin-2-one
InChI:
InChI=1S/C25H20ClN3O4S/c1-14(30)16-8-11-21-19(12-16)28(18-4-2-3-5-20(18)34-21)22(32)13-27-29-24(23(26)25(29)33)15-6-9-17(31)10-7-15/h2-12,23-24,27,31H,13H2,1H3
InChI Key:
DSXAGPODGSTCPK-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C1C(Cl)C(=O)N1NCC(=O)N1c2ccccc2Sc2c1cc(cc2)C(=O)C
Properties
Complexity:
807
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
493.086g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
493.962g/mol
Monoisotopic Mass:
493.086g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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