Chemical ID: 3933839

CC(C)c1nnc(n1CCOC)SCC(=O)Nc2ccc(cc2)N(C)C
Chemical ID:
3933839
Name [?]:
N-(4-dimethylaminophenyl)-2-[[5-isopropyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
CC(C)c1nnc(n1CCOC)SCC(=O)Nc2ccc(cc2)N(C)C
InChi [?]:
InChI=1/C18H27N5O2S/c1-13(2)17-20-21-18(23(17)10-11-25-5)26-12-16(24)19-14-6-8-15(9-7-14)22(3)4/h6-9,13H,10-12H2,1-5H3,(H,19,24)
InChi Info:
AuxInfo=1/1/N:1,3,25,26,12,19,23,20,22,9,10,14,2,18,21,15,4,7,17,5,6,24,8,16,11,13/E:(1,2)(3,4)(6,7)(8,9)/rA:26nCCCCNNCNCCOCSCCONCCCCCCNCC/rB:s1;s2;s2;d4;s5;d6;s4s7;s8;s9;s10;s11;s7;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H27N5O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.2389
Area:633.118
Solvation:-4.58905
Coulombic:-45.694
Bond Count [?]
All:27
Single:21
Double:6
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:377.505
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.38
LogP (Chemaxon):2.58

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Descriptor Annotations

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