CCOC(=O)C1=CC=C2N1CC3=CC=CC=C3N(C2)C(=O)C4=CC(=C(C=C4)N)C
이름: ethyl 5-(4-amino-3-methylbenzoyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxylate
SMILES: CCOC(=O)C1=CC=C2N1CC3=CC=CC=C3N(C2)C(=O)C4=CC(=C(C=C4)N)C

Molecular Processing

Molecular formula
C23H23N3O3
Molecular weight
389.46
Exact mass
389.1739
XLogP
3.76
TPSA
77.56
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.217
Molar refractivity
112.04

Supplementary Information

InChIKey: IBFZYQSPLMKSSB-UHFFFAOYSA-N
동의어
ethyl 10,11-dihydro-10-(4-amino-3-methylbenzoyl)-5H-pyrrolo[2,1-c]-(1,4]benzodiazepine-3-carboxylateethyl 10,11-dihydro-10-(4-amino-3-methylbenzoyl)-5H-pyrrolo[2,1-c]-[1,4]benzodiazepine-3-carboxylateSCHEMBL7333536IBFZYQSPLMKSSB-UHFFFAOYSA-Nethyl 10,11-di-hydro-10-(4-amino-3-methylbenzoyl)-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylateethyl 10,11-dihydro-10-(4-amino-3-methylbenzoyl)-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylate
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