C1C2=CC=CC=C2N(CC3=CC=C(N31)Cl)C(=O)C4=CC=C(C=C4)N
Name: (4-aminophenyl)-(9-chloro-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methanone
SMILES: C1C2=CC=CC=C2N(CC3=CC=C(N31)Cl)C(=O)C4=CC=C(C=C4)N

Molecular Processing

Molecular formula
C19H16ClN3O
Molecular weight
337.81
Exact mass
337.0982
XLogP
3.93
TPSA
51.26
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
24
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.105
Molar refractivity
96.35

Supplementary Information

InChIKey: LCBKDMJJTCVVGW-UHFFFAOYSA-N
Synonyme
SCHEMBL7333047LCBKDMJJTCVVGW-UHFFFAOYSA-N3-chloro-10,11-di-hydro-10-(4-aminobenzoyl)-5H-pyrrolo[2,1-c][1,4]benzodiazepine3-Chloro-10,11-dihydro-10-(4-aminobenzoyl)-5H-pyrrolo[2,1-c][1,4]benzodiazepine
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