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299207-75-3 | N-cyclopropylmethyl-N'-(1H-indol-5-yl)thiourea
CAS No: 299207-75-3 Catalog No: AG01CAXZ MDL No:MFCD00278608
Product Description
Catalog Number:
AG01CAXZ
Chemical Name:
N-cyclopropylmethyl-N'-(1H-indol-5-yl)thiourea
CAS Number:
299207-75-3
Molecular Formula:
C13H15N3S
Molecular Weight:
245.3433
MDL Number:
MFCD00278608
IUPAC Name:
1-(cyclopropylmethyl)-3-(1H-indol-5-yl)thiourea
InChI:
InChI=1S/C13H15N3S/c17-13(15-8-9-1-2-9)16-11-3-4-12-10(7-11)5-6-14-12/h3-7,9,14H,1-2,8H2,(H2,15,16,17)
InChI Key:
QUYCMVSFBYSYPJ-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccc2c(c1)cc[nH]2)NCC1CC1
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.099g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
245.344g/mol
Monoisotopic Mass:
245.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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