Chemical ID: 7461988

c1ccc(cc1)Oc2ccc(cc2)N=c3[nH]c4c(cn3)C(=O)CC(C4)c5ccco5
Chemical ID:
7461988
Name [?]:
7-(2-furyl)-2-(4-phenoxyphenyl)imino-1,6,7,8-tetrahydroquinazolin-5-one
SMILES [?]:
c1ccc(cc1)Oc2ccc(cc2)N=c3[nH]c4c(cn3)C(=O)CC(C4)c5ccco5
InChi [?]:
InChI=1/C24H19N3O3/c28-22-14-16(23-7-4-12-29-23)13-21-20(22)15-25-24(27-21)26-17-8-10-19(11-9-17)30-18-5-2-1-3-6-18/h1-12,15-16H,13-14H2,(H,25,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,28,3,5,27,10,12,9,13,29,25,23,19,24,11,4,8,18,17,21,26,15,20,14,16,22,30,7/E:(2,3)(5,6)(8,9)(10,11)/rA:30cCCCCCCOCCCCCCNCNCCCNCOCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s11;w14;s15;s16;d17;s18;s15d19;s18;d21;s21;s23;s17s24;s24;d26;s27;d28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H19N3O3
All Atoms:49
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:10.9284
Area:621.26
Solvation:-4.60314
Coulombic:-44.915
Bond Count [?]
All:34
Single:22
Double:12
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:397.426
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.85
LogP (Chemaxon):4.11

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Descriptor Annotations

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