(1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)-1-FORMYLPENTYL]CARBAMATE
Thuốc Gốc
Small Molecule
CTHH: C18H27NO3
PTK: 305.4119
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
305.4119
Monoisotopic mass
305.199093735
InChI
InChI=1S/C18H27NO3/c1-4-5-11-16(13-20)19-18(21)22-17(14(2)3)12-15-9-7-6-8-10-15/h6-10,13-14,16-17H,4-5,11-12H2,1-3H3,(H,19,21)/t16-,17+/m0/s1
InChI Key
InChIKey=ZLZXUNHJWVLGTE-DLBZAZTESA-N
IUPAC Name
(2R)-3-methyl-1-phenylbutan-2-yl N-[(2S)-1-oxohexan-2-yl]carbamate
Traditional IUPAC Name
(2R)-3-methyl-1-phenylbutan-2-yl N-[(2S)-1-oxohexan-2-yl]carbamate
SMILES
[H][C@@](CCCC)(NC(=O)O[C@]([H])(CC1=CC=CC=C1)C(C)C)C=O
Độ hòa tan
9.58e-03 g/l
logP
4.43
logS
-4.5
pKa (strongest acidic)
14.01
pKa (Strongest Basic)
-7.3
PSA
55.4 Å2
Refractivity
87.15 m3·mol-1
Polarizability
34.78 Å3
Rotatable Bond Count
10
H Bond Acceptor Count
2
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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