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31883-05-3 | CARBAMIC ACID, [10-[3-(4-MORPHOLINYL)-1-OXOPROPYL]-10H-PHENOTHIAZIN-2-YL]-, ETHYL ESTER
CAS No: 31883-05-3 Catalog No: AG00BXKQ MDL No:
Product Description
Catalog Number:
AG00BXKQ
Chemical Name:
CARBAMIC ACID, [10-[3-(4-MORPHOLINYL)-1-OXOPROPYL]-10H-PHENOTHIAZIN-2-YL]-, ETHYL ESTER
CAS Number:
31883-05-3
Molecular Formula:
C22H25N3O4S
Molecular Weight:
427.5166
IUPAC Name:
ethyl N-[10-(3-morpholin-4-ylpropanoyl)phenothiazin-2-yl]carbamate
InChI:
InChI=1S/C22H25N3O4S/c1-2-29-22(27)23-16-7-8-20-18(15-16)25(17-5-3-4-6-19(17)30-20)21(26)9-10-24-11-13-28-14-12-24/h3-8,15H,2,9-14H2,1H3,(H,23,27)
InChI Key:
FUBVWMNBEHXPSU-UHFFFAOYSA-N
SMILES:
CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1c(S2)cccc1
EC Number:
250-854-5
UNII:
2GT1D0TMX1
Properties
Complexity:
601
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.157g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
427.519g/mol
Monoisotopic Mass:
427.157g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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