Chemical ID: 4867414

c1ccc2c(c1)CCN(C2)C(=O)C3CCCN(C3)C(=O)c4ccccc4F
Chemical ID:
4867414
Name [?]:
3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorobenzoyl)-3-piperidyl]-methanone
SMILES [?]:
c1ccc2c(c1)CCN(C2)C(=O)C3CCCN(C3)C(=O)c4ccccc4F
InChi [?]:
InChI=1/C22H23FN2O2/c23-20-10-4-3-9-19(20)22(27)24-12-5-8-18(15-24)21(26)25-13-11-16-6-1-2-7-17(16)14-25/h1-4,6-7,9-10,18H,5,8,11-15H2
InChi Info:
AuxInfo=1/0/N:1,2,23,24,15,6,3,14,22,25,7,16,8,10,18,5,4,13,21,26,11,19,27,17,9,12,20/rA:27cCCCCCCCCNCCOCCCCNCCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;s9;d11;s11;s13;s14;s15;s16;s13s17;s17;d19;s19;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23FN2O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:9.8421
Area:556.557
Solvation:-4.07182
Coulombic:-38.3186
Bond Count [?]
All:30
Single:22
Double:8
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:366.429
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.13
LogP (Chemaxon):2.91

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Descriptor Annotations

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