Chemical ID: 4568614

c1ccc(cc1)C2c3c(c4ccccc4[nH]3)CC5N2C(=O)CNC5=O
Chemical ID:
4568614
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C2c3c(c4ccccc4[nH]3)CC5N2C(=O)CNC5=O
InChi [?]:
InChI=1/C20H17N3O2/c24-17-11-21-20(25)16-10-14-13-8-4-5-9-15(13)22-18(14)19(23(16)17)12-6-2-1-3-7-12/h1-9,16,19,22H,10-11H2,(H,21,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,13,3,5,11,14,17,22,4,10,9,15,18,20,8,7,24,23,16,19,21,25/E:(2,3)(6,7)/rA:25cCCCCCCCCCCCCCCCNCCNCOCNCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s10;d11;s12;d13;d10s14;s8s15;s9;s17;s7s18;s19;d20;s20;s22;s18s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17N3O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:2
ZAP Information [?]
Total:8.61693
Area:487.763
Solvation:-3.57715
Coulombic:-50.0221
Bond Count [?]
All:29
Single:20
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:331.368
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.8
LogP (Chemaxon):2.06

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