Chemical ID: 6240394

Cc1ccn2c(c1)nc(c2NC(=O)CC(C)(C)C)c3ccccc3
Chemical ID:
6240394
Name [?]:
3,3-dimethyl-N-(4-methyl-8-phenyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl)-butanamide
SMILES [?]:
Cc1ccn2c(c1)nc(c2NC(=O)CC(C)(C)C)c3ccccc3
InChi [?]:
InChI=1/C20H23N3O/c1-14-10-11-23-16(12-14)21-18(15-8-6-5-7-9-15)19(23)22-17(24)13-20(2,3)4/h5-12H,13H2,1-4H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,16,17,18,22,21,23,20,24,3,4,7,14,2,19,6,12,9,10,15,8,11,5,13/E:(2,3,4)(6,7)(8,9)/rA:24nCCCCNCCNCCNCOCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;s5d9;s10;s11;d12;s12;s14;s15;s15;s15;s9;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23N3O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.5493
Area:528.146
Solvation:-2.65432
Coulombic:-33.6996
Bond Count [?]
All:26
Single:18
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:321.416
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.98
LogP (Chemaxon):4.95

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Descriptor Annotations

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