4-(3-(2-Chlorobenzoyl)-5-ethylthiophen-2-yl)-3-hydroxymethyl-5-methyl[1,2,4]triazole

HCID 19085173

기본 정보

표준 SMILES
CCc1cc(C(=O)c2ccccc2Cl)c(-n2c(C)nnc2CO)s1
InChIKey
VWNUCFNZAFGPCK-UHFFFAOYSA-N
분자식
C17H16ClN3O2S
평균 분자량
361.8 g/mol

이름 및 식별자

우선 이름
4-(3-(2-Chlorobenzoyl)-5-ethylthiophen-2-yl)-3-hydroxymethyl-5-methyl[1,2,4]triazole
IUPAC
(2-chlorophenyl)-[5-ethyl-2-[3-(hydroxymethyl)-5-methyl-1,2,4-triazol-4-yl]thiophen-3-yl]methanone

이름 및 동의어

SCHEMBL8691715VWNUCFNZAFGPCK-UHFFFAOYSA-N3-hydroxymethyl-4-(3 -o-chlorobenzoyl-5-ethyl-2-thienyl)-5-methyl-4H-1,2,4-triazole3-hydroxymethyl-4-(3-o-chlorobenzoyl-5-ethyl-2-thienyl)-5-methyl-4H-1,2,4-triazole4-(3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl)-3-hydroxymethyl-5-methyl[1,2,4]triazole

데이터베이스 식별자

PubChem CID
19085173

물성

구조 계산 물성

XLogP
3.5
극성 표면적
96.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
5
무거운 원자 수
24

관련 반응

7건

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