Chemical ID: 3856041

CN(C)CCCN(c1nc(cs1)c2ccc(cc2)OC)C(=O)c3ccco3
Chemical ID:
3856041
Name [?]:
N-(3-dimethylaminopropyl)-N-[4-(4-methoxyphenyl)thiazol-2-yl]-furan-2-carboxamide
SMILES [?]:
CN(C)CCCN(c1nc(cs1)c2ccc(cc2)OC)C(=O)c3ccco3
InChi [?]:
InChI=1/C20H23N3O3S/c1-22(2)11-5-12-23(19(24)18-6-4-13-26-18)20-21-17(14-27-20)15-7-9-16(25-3)10-8-15/h4,6-10,13-14H,5,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,20,25,5,24,14,18,15,17,4,6,26,11,13,16,10,23,21,8,9,2,7,22,19,27,12/E:(1,2)(7,8)(9,10)/rA:27nCNCCCCNCNCCSCCCCCCOCCOCCCCO/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;s8s11;s10;s13;d14;s15;d16;d13s17;s16;s19;s7;d21;s21;d23;s24;d25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23N3O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.5511
Area:604.154
Solvation:-4.55273
Coulombic:-44.0626
Bond Count [?]
All:29
Single:21
Double:8
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:385.481
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.8
LogP (Chemaxon):2.94

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Descriptor Annotations

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