Chemical ID: 5928777

Cc1cccc2n1c(c(n2)c3ccc4c(c3)OCO4)NC(C)(C)CC(C)(C)C
Chemical ID:
5928777
Name [?]:
8-benzo[1,3]dioxol-5-yl-5-methyl-N-(1,1,3,3-tetramethylbutyl)-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-7-amine
SMILES [?]:
Cc1cccc2n1c(c(n2)c3ccc4c(c3)OCO4)NC(C)(C)CC(C)(C)C
InChi [?]:
InChI=1/C23H29N3O2/c1-15-8-7-9-19-24-20(16-10-11-17-18(12-16)28-14-27-17)21(26(15)19)25-23(5,6)13-22(2,3)4/h7-12,25H,13-14H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,26,27,28,22,23,4,3,5,12,13,16,24,18,2,11,14,15,6,9,8,25,21,10,20,7,19,17/E:(2,3,4)(5,6)/rA:28nCCCCCCNCCNCCCCCCOCONCCCCCCCC/rB:s1;d2;s3;d4;s5;s2s6;s7;d8;d6s9;s9;s11;d12;s13;d14;d11s15;s15;s17;s14s18;s8;s20;s21;s21;s21;s24;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H29N3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.89052
Area:520.594
Solvation:-3.12432
Coulombic:-41.4008
Bond Count [?]
All:31
Single:24
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:379.495
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.41
LogP (Chemaxon):5.1

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Descriptor Annotations

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