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74797-31-2 | Urea,N-(6,11-dihydrodibenzo[b,e]thiepin-11-yl)-N'-(2-hydroxyethyl)-
CAS No: 74797-31-2 Catalog No: AG005GY9 MDL No:
Product Description
Catalog Number:
AG005GY9
Chemical Name:
Urea,N-(6,11-dihydrodibenzo[b,e]thiepin-11-yl)-N'-(2-hydroxyethyl)-
CAS Number:
74797-31-2
Molecular Formula:
C17H18N2O2S
Molecular Weight:
314.4020
IUPAC Name:
1-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-3-(2-hydroxyethyl)urea
InChI:
InChI=1S/C17H18N2O2S/c20-10-9-18-17(21)19-16-13-6-2-1-5-12(13)11-22-15-8-4-3-7-14(15)16/h1-8,16,20H,9-11H2,(H2,18,19,21)
InChI Key:
GFMVMMLCZYNFJW-UHFFFAOYSA-N
SMILES:
OCCNC(=O)NC1c2ccccc2SCc2c1cccc2
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.109g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
314.403g/mol
Monoisotopic Mass:
314.109g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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