Chemical ID: 6210315

CCCCNC(=O)CSc1nc2ccccc2c(n1)NCC3CCCO3
Chemical ID:
6210315
Name [?]:
N-butyl-2-[4-(tetrahydrofuran-2-ylmethylamino)quinazolin-2-yl]sulfanyl-acetamide
SMILES [?]:
CCCCNC(=O)CSc1nc2ccccc2c(n1)NCC3CCCO3
InChi [?]:
InChI=1/C19H26N4O2S/c1-2-3-10-20-17(24)13-26-19-22-16-9-5-4-8-15(16)18(23-19)21-12-14-7-6-11-25-14/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,20,24)(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,3,15,14,24,23,16,13,4,25,21,8,22,17,12,6,18,10,5,20,11,19,7,26,9/rA:26cCCCCNCOCSCNCCCCCCCNNCCCCCO/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;s14;d15;s12s16;d17;d10s18;s18;s20;s21;s22;s23;s24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H26N4O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:11.8011
Area:634.644
Solvation:-4.065
Coulombic:-53.6144
Bond Count [?]
All:28
Single:22
Double:6
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:374.501
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.9
LogP (Chemaxon):2.96

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