Chemical ID: 5828352

CC1(Cc2ccccc2-c3c1c(=O)n(c(n3)NCCO)Cc4ccccc4)C
Chemical ID:
5828352
Name [?]:
None
SMILES [?]:
CC1(Cc2ccccc2-c3c1c(=O)n(c(n3)NCCO)Cc4ccccc4)C
InChi [?]:
InChI=1/C23H25N3O2/c1-23(2)14-17-10-6-7-11-18(17)20-19(23)21(28)26(22(25-20)24-12-13-27)15-16-8-4-3-5-9-16/h3-11,27H,12-15H2,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,28,25,24,26,6,7,23,27,5,8,18,19,3,21,22,4,9,11,10,12,15,2,17,16,14,20,13/E:(1,2)(4,5)(8,9)/rA:28nCCCCCCCCCCCCONCNNCCOCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s2d10;s11;d12;s12;s14;s10d15;s15;s17;s18;s19;s14;s21;s22;d23;s24;d25;d22s26;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25N3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.6992
Area:558.055
Solvation:-3.25221
Coulombic:-54.169
Bond Count [?]
All:31
Single:22
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:375.464
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.52
LogP (Chemaxon):4.58

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