Chemical ID: 3933671

CCC(=O)Nc1ccc(cc1)NC(=O)CSc2nnc(n2C)C(C)C
Chemical ID:
3933671
Name [?]:
N-[4-[2-[(5-isopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]aminophenyl]propanamide
SMILES [?]:
CCC(=O)Nc1ccc(cc1)NC(=O)CSc2nnc(n2C)C(C)C
InChi [?]:
InChI=1/C17H23N5O2S/c1-5-14(23)18-12-6-8-13(9-7-12)19-15(24)10-25-17-21-20-16(11(2)3)22(17)4/h6-9,11H,5,10H2,1-4H3,(H,18,23)(H,19,24)
InChi Info:
AuxInfo=1/1/N:1,24,25,22,2,7,11,8,10,15,23,6,9,3,13,20,17,5,12,19,18,21,4,14,16/E:(2,3)(6,7)(8,9)/rA:25nCCCONCCCCCCNCOCSCNNCNCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;d17;s18;d19;s17s20;s21;s20;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H23N5O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.9702
Area:604.043
Solvation:-4.13087
Coulombic:-50.4479
Bond Count [?]
All:26
Single:19
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:361.463
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.44
LogP (Chemaxon):2.43

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