C1CC1CN2CCN(CC2)C3=CC=C(C=C3)NC4=NC(=C(S4)C(=O)C5=CC6=C(C=C5)OCCO6)N
이름: [4-amino-2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-1,3-thiazol-5-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
SMILES: C1CC1CN2CCN(CC2)C3=CC=C(C=C3)NC4=NC(=C(S4)C(=O)C5=CC6=C(C=C5)OCCO6)N

Molecular Processing

Molecular formula
C26H29N5O3S
Molecular weight
491.62
Exact mass
491.1991
XLogP
4
TPSA
92.95
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
35
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
138.49

Supplementary Information

InChIKey: KHNOFPARLTUGFV-UHFFFAOYSA-N
동의어
SCHEMBL5741664KHNOFPARLTUGFV-UHFFFAOYSA-N{4-Amino-2-[4-(4-cyclopropylmethyl-piperazin-1-yl)-phenylamino]-thiazol-5-yl}-(2,3-dihydro-benzo[1 ,4]dioxin-6-yl)-methanone{4-Amino-2-[4-(4-cyclopropylmethyl-piperazin-1-yl)-phenylamino]-thiazol-5-yl}-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-methanone
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