Chemical ID: 4685135

c1ccc2c(c1)CN(CN2Cn3c4ccccc4nn3)Cn5c6ccccc6nn5
Chemical ID:
4685135
Name [?]:
1,3-bis(benzotriazol-1-ylmethyl)-2,4-dihydroquinazoline
SMILES [?]:
c1ccc2c(c1)CN(CN2Cn3c4ccccc4nn3)Cn5c6ccccc6nn5
InChi [?]:
InChI=1/C22H20N8/c1-4-10-20-17(7-1)13-27(15-29-21-11-5-2-8-18(21)23-25-29)14-28(20)16-30-22-12-6-3-9-19(22)24-26-30/h1-12H,13-16H2
InChi Info:
AuxInfo=1/0/N:1,26,16,2,25,15,6,27,17,3,24,14,7,9,21,11,5,28,18,4,23,13,29,19,30,20,8,10,22,12/rA:30cCCCCCCCNCNCNCCCCCCNNCNCCCCCCNN/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;s12d19;s8;s21;s22;s23;d24;s25;d26;d23s27;s28;s22d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H20N8
All Atoms:30
Heavy Atoms:30
Chiral Atoms:2
ZAP Information [?]
Total:10.7549
Area:599.279
Solvation:-4.22709
Coulombic:-22.0622
Bond Count [?]
All:35
Single:24
Double:11
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:396.448
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.65
LogP (Chemaxon):5.73

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Descriptor Annotations

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